 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer17_STD_LCPBE_augccpVDZ.in
 Output=12_L-valine_conformer17_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/Gau-234689.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    234690.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Aug-2021 
 ******************************************
 %NoSave
 %NProc=8
 Will use up to    8 processors via shared memory.
 %Mem=42GB
 %chk=12_L-valine_conformer17_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=033700000
 0,3/108=0337000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=337000000,108=337000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=200,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Aug 16 21:19:53 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "12_L-valine_conformer17_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.242060000000     -0.691046000000      1.347213000000
  C                                                -1.257801000000     -0.369797000000     -0.148854000000
  C                                                 0.160880000000     -0.338750000000     -0.765763000000
  C                                                 1.057636000000      0.659612000000     -0.017001000000
  O                                                 1.945020000000      0.084751000000      0.805432000000
  C                                                -2.029648000000      0.917604000000     -0.430520000000
  N                                                 0.777212000000     -1.672850000000     -0.709690000000
  O                                                 0.958586000000      1.851003000000     -0.134549000000
  H                                                 0.071726000000      0.035438000000     -1.788895000000
  H                                                -1.773582000000     -1.187043000000     -0.668620000000
  H                                                 1.831378000000     -0.883345000000      0.671434000000
  H                                                 0.080206000000     -2.406377000000     -0.729845000000
  H                                                 1.409658000000     -1.824289000000     -1.485630000000
  H                                                -3.047160000000      0.833387000000     -0.044887000000
  H                                                -1.550296000000      1.774112000000      0.042015000000
  H                                                -2.088446000000      1.119506000000     -1.501518000000
  H                                                -2.261952000000     -0.810611000000      1.715282000000
  H                                                -0.697350000000     -1.610398000000      1.566250000000
  H                                                -0.777550000000      0.117788000000      1.914721000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Mon Aug 16 21:19:54 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.242060   -0.691046    1.347213
      2          6           0       -1.257801   -0.369797   -0.148854
      3          6           0        0.160880   -0.338750   -0.765763
      4          6           0        1.057636    0.659612   -0.017001
      5          8           0        1.945020    0.084751    0.805432
      6          6           0       -2.029648    0.917604   -0.430520
      7          7           0        0.777212   -1.672850   -0.709690
      8          8           0        0.958586    1.851003   -0.134549
      9          1           0        0.071726    0.035438   -1.788895
     10          1           0       -1.773582   -1.187043   -0.668620
     11          1           0        1.831378   -0.883345    0.671434
     12          1           0        0.080206   -2.406377   -0.729845
     13          1           0        1.409658   -1.824289   -1.485630
     14          1           0       -3.047160    0.833387   -0.044887
     15          1           0       -1.550296    1.774112    0.042015
     16          1           0       -2.088446    1.119506   -1.501518
     17          1           0       -2.261952   -0.810611    1.715282
     18          1           0       -0.697350   -1.610398    1.566250
     19          1           0       -0.777550    0.117788    1.914721
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.530250   0.000000
     3  C    2.560668   1.547319   0.000000
     4  C    2.995657   2.537384   1.536731   0.000000
     5  O    3.324585   3.372735   2.414780   1.339519   0.000000
     6  C    2.523566   1.527247   2.547396   3.125521   4.244904
     7  N    3.045037   2.480678   1.470657   2.449252   2.597794
     8  O    3.674299   3.137599   2.414495   1.201266   2.230754
     9  H    3.476922   2.149789   1.093053   2.121608   3.200343
    10  H    2.142921   1.097305   2.114517   3.442461   4.197415
    11  H    3.152725   3.237226   2.269952   1.858315   0.983910
    12  H    3.000820   2.505089   2.069512   3.296029   3.469917
    13  H    4.042381   3.319315   2.069899   2.906984   3.029853
    14  H    2.742303   2.158765   3.490715   4.108567   5.119117
    15  H    2.806342   2.172172   2.836338   2.836706   3.956511
    16  H    3.479905   2.176625   2.779805   3.509006   4.760418
    17  H    1.090848   2.162785   3.499765   4.022689   4.396375
    18  H    1.090823   2.189698   2.791403   3.277134   3.230247
    19  H    1.091809   2.174103   2.876469   2.719013   2.940068
                    6          7          8          9         10
     6  C    0.000000
     7  N    3.829732   0.000000
     8  O    3.144579   3.575084   0.000000
     9  H    2.653144   2.140243   2.611447   0.000000
    10  H    2.133495   2.596968   4.120643   2.480854   0.000000
    11  H    4.400596   1.908425   2.981281   3.161290   3.857942
    12  H    3.948408   1.012070   4.387620   2.661601   2.219697
    13  H    4.523280   1.012425   3.941657   2.310977   3.347627
    14  H    1.091392   4.620499   4.133955   3.661384   2.468437
    15  H    1.089346   4.226571   2.516262   3.001029   3.053408
    16  H    1.091448   4.078755   3.418786   2.433954   2.472454
    17  H    2.764988   3.982520   4.569237   4.294311   2.462356
    18  H    3.486101   2.712588   4.197158   3.815397   2.516376
    19  H    2.776258   3.537118   3.196515   3.800635   3.060770
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.711054   0.000000
    13  H    2.390847   1.636301   0.000000
    14  H    5.221151   4.554740   5.385370   0.000000
    15  H    4.346719   4.553108   4.903419   1.770061   0.000000
    16  H    4.908987   4.210746   4.571970   1.767136   1.760854
    17  H    4.224957   3.743103   4.975349   2.533274   3.160233
    18  H    2.779167   2.551515   3.714728   3.753592   3.808637
    19  H    3.058518   3.755114   4.485301   3.082738   2.616787
                   16         17         18         19
    16  H    0.000000
    17  H    3.755430   0.000000
    18  H    4.335750   1.763476   0.000000
    19  H    3.793755   1.762144   1.764792   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.84D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.242060   -0.691046    1.347213
      2          6           0       -1.257801   -0.369797   -0.148854
      3          6           0        0.160880   -0.338750   -0.765763
      4          6           0        1.057636    0.659612   -0.017001
      5          8           0        1.945020    0.084751    0.805432
      6          6           0       -2.029648    0.917604   -0.430520
      7          7           0        0.777212   -1.672850   -0.709690
      8          8           0        0.958586    1.851003   -0.134549
      9          1           0        0.071726    0.035438   -1.788895
     10          1           0       -1.773582   -1.187043   -0.668620
     11          1           0        1.831378   -0.883345    0.671434
     12          1           0        0.080206   -2.406377   -0.729845
     13          1           0        1.409658   -1.824289   -1.485630
     14          1           0       -3.047160    0.833387   -0.044887
     15          1           0       -1.550296    1.774112    0.042015
     16          1           0       -2.088446    1.119506   -1.501518
     17          1           0       -2.261952   -0.810611    1.715282
     18          1           0       -0.697350   -1.610398    1.566250
     19          1           0       -0.777550    0.117788    1.914721
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.4712723           1.7885275           1.4334947
 Leave Link  202 at Mon Aug 16 21:19:54 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  24 primitive shells out of 312 were deleted.
 There are   299 symmetry adapted cartesian basis functions of A   symmetry.
 There are   283 symmetry adapted basis functions of A   symmetry.
   283 basis functions,   508 primitive gaussians,   299 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       413.2608280726 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.337000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.337000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Aug 16 21:19:55 2021, MaxMem=  5637144576 cpu:              10.9 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   283 RedAO= T EigKep=  9.80D-06  NBF=   283
 NBsUse=   283 1.00D-06 EigRej= -1.00D+00 NBFU=   283
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   299   299   299   299   299 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Mon Aug 16 21:19:56 2021, MaxMem=  5637144576 cpu:               2.5 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Aug 16 21:19:56 2021, MaxMem=  5637144576 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer17_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Aug 16 21:19:56 2021, MaxMem=  5637144576 cpu:               2.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636960417 LenY=  5636870575
 Requested convergence on RMS density matrix=1.00D-08 within 200 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -401.232705434357    
 DIIS: error= 2.40D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -401.232705434357     IErMin= 1 ErrMin= 2.40D-03
 ErrMax= 2.40D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.09D-02 BMatP= 1.09D-02
 IDIUse=3 WtCom= 9.76D-01 WtEn= 2.40D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.441 Goal=   None    Shift=    0.000
 GapD=    0.441 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=9.33D-03 MaxDP=5.86D-01              OVMax= 1.68D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  9.19D-03    CP:  1.06D+00
 E= -401.242161817097     Delta-E=       -0.009456382740 Rises=F Damp=F
 DIIS: error= 1.11D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -401.242161817097     IErMin= 2 ErrMin= 1.11D-03
 ErrMax= 1.11D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.49D-03 BMatP= 1.09D-02
 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.11D-02
 Coeff-Com:  0.143D+00 0.857D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.142D+00 0.858D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=1.29D-03 MaxDP=7.91D-02 DE=-9.46D-03 OVMax= 1.03D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.01D-04    CP:  1.07D+00  1.12D+00
 E= -401.242582818953     Delta-E=       -0.000421001856 Rises=F Damp=F
 DIIS: error= 1.02D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -401.242582818953     IErMin= 3 ErrMin= 1.02D-03
 ErrMax= 1.02D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-03 BMatP= 1.49D-03
 IDIUse=3 WtCom= 9.90D-01 WtEn= 1.02D-02
 Coeff-Com: -0.391D-01 0.472D+00 0.567D+00
 Coeff-En:   0.000D+00 0.384D+00 0.616D+00
 Coeff:     -0.387D-01 0.471D+00 0.567D+00
 Gap=     0.383 Goal=   None    Shift=    0.000
 RMSDP=4.50D-04 MaxDP=2.94D-02 DE=-4.21D-04 OVMax= 5.77D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.22D-04    CP:  1.08D+00  1.16D+00  1.06D+00
 E= -401.243389729028     Delta-E=       -0.000806910075 Rises=F Damp=F
 DIIS: error= 1.14D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -401.243389729028     IErMin= 4 ErrMin= 1.14D-04
 ErrMax= 1.14D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.63D-05 BMatP= 1.15D-03
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.14D-03
 Coeff-Com: -0.148D-01 0.934D-01 0.156D+00 0.766D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.147D-01 0.933D-01 0.156D+00 0.766D+00
 Gap=     0.383 Goal=   None    Shift=    0.000
 RMSDP=9.36D-05 MaxDP=3.88D-03 DE=-8.07D-04 OVMax= 1.49D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.42D-05    CP:  1.08D+00  1.16D+00  1.14D+00  1.07D+00
 E= -401.243401989917     Delta-E=       -0.000012260890 Rises=F Damp=F
 DIIS: error= 8.14D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -401.243401989917     IErMin= 5 ErrMin= 8.14D-05
 ErrMax= 8.14D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.91D-06 BMatP= 1.63D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.389D-03-0.472D-01-0.330D-01 0.415D+00 0.665D+00
 Coeff:      0.389D-03-0.472D-01-0.330D-01 0.415D+00 0.665D+00
 Gap=     0.383 Goal=   None    Shift=    0.000
 RMSDP=4.38D-05 MaxDP=2.78D-03 DE=-1.23D-05 OVMax= 7.62D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.62D-05    CP:  1.08D+00  1.16D+00  1.17D+00  1.12D+00  1.32D+00
 E= -401.243407780180     Delta-E=       -0.000005790263 Rises=F Damp=F
 DIIS: error= 1.77D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -401.243407780180     IErMin= 6 ErrMin= 1.77D-05
 ErrMax= 1.77D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.16D-07 BMatP= 6.91D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.149D-02-0.259D-01-0.264D-01 0.926D-01 0.249D+00 0.710D+00
 Coeff:      0.149D-02-0.259D-01-0.264D-01 0.926D-01 0.249D+00 0.710D+00
 Gap=     0.383 Goal=   None    Shift=    0.000
 RMSDP=1.12D-05 MaxDP=1.29D-03 DE=-5.79D-06 OVMax= 1.68D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.15D-06    CP:  1.08D+00  1.16D+00  1.17D+00  1.13D+00  1.42D+00
                    CP:  1.23D+00
 E= -401.243408109515     Delta-E=       -0.000000329335 Rises=F Damp=F
 DIIS: error= 5.89D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -401.243408109515     IErMin= 7 ErrMin= 5.89D-06
 ErrMax= 5.89D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.80D-08 BMatP= 3.16D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.404D-03-0.199D-02-0.385D-02-0.216D-01-0.333D-02 0.219D+00
 Coeff-Com:  0.812D+00
 Coeff:      0.404D-03-0.199D-02-0.385D-02-0.216D-01-0.333D-02 0.219D+00
 Coeff:      0.812D+00
 Gap=     0.383 Goal=   None    Shift=    0.000
 RMSDP=4.47D-06 MaxDP=5.06D-04 DE=-3.29D-07 OVMax= 9.06D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.28D-06    CP:  1.08D+00  1.16D+00  1.17D+00  1.13D+00  1.47D+00
                    CP:  1.30D+00  1.15D+00
 E= -401.243408150490     Delta-E=       -0.000000040974 Rises=F Damp=F
 DIIS: error= 1.77D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -401.243408150490     IErMin= 8 ErrMin= 1.77D-06
 ErrMax= 1.77D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.12D-09 BMatP= 2.80D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.415D-04 0.213D-02 0.169D-02-0.165D-01-0.271D-01-0.835D-02
 Coeff-Com:  0.245D+00 0.804D+00
 Coeff:     -0.415D-04 0.213D-02 0.169D-02-0.165D-01-0.271D-01-0.835D-02
 Coeff:      0.245D+00 0.804D+00
 Gap=     0.383 Goal=   None    Shift=    0.000
 RMSDP=1.42D-06 MaxDP=1.30D-04 DE=-4.10D-08 OVMax= 3.52D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  6.62D-07    CP:  1.08D+00  1.16D+00  1.17D+00  1.13D+00  1.48D+00
                    CP:  1.31D+00  1.20D+00  1.16D+00
 E= -401.243408155311     Delta-E=       -0.000000004821 Rises=F Damp=F
 DIIS: error= 5.52D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -401.243408155311     IErMin= 9 ErrMin= 5.52D-07
 ErrMax= 5.52D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.59D-10 BMatP= 3.12D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.563D-04 0.875D-03 0.967D-03-0.287D-02-0.822D-02-0.302D-01
 Coeff-Com: -0.239D-01 0.245D+00 0.818D+00
 Coeff:     -0.563D-04 0.875D-03 0.967D-03-0.287D-02-0.822D-02-0.302D-01
 Coeff:     -0.239D-01 0.245D+00 0.818D+00
 Gap=     0.383 Goal=   None    Shift=    0.000
 RMSDP=3.65D-07 MaxDP=1.98D-05 DE=-4.82D-09 OVMax= 1.49D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.99D-07    CP:  1.08D+00  1.16D+00  1.17D+00  1.13D+00  1.48D+00
                    CP:  1.32D+00  1.23D+00  1.26D+00  1.17D+00
 E= -401.243408155948     Delta-E=       -0.000000000638 Rises=F Damp=F
 DIIS: error= 1.52D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -401.243408155948     IErMin=10 ErrMin= 1.52D-07
 ErrMax= 1.52D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.40D-11 BMatP= 3.59D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.301D-05-0.867D-04-0.241D-04 0.125D-02 0.177D-02-0.326D-02
 Coeff-Com: -0.263D-01-0.439D-01 0.126D+00 0.944D+00
 Coeff:     -0.301D-05-0.867D-04-0.241D-04 0.125D-02 0.177D-02-0.326D-02
 Coeff:     -0.263D-01-0.439D-01 0.126D+00 0.944D+00
 Gap=     0.383 Goal=   None    Shift=    0.000
 RMSDP=1.38D-07 MaxDP=1.20D-05 DE=-6.38D-10 OVMax= 5.11D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  7.66D-08    CP:  1.08D+00  1.16D+00  1.17D+00  1.13D+00  1.48D+00
                    CP:  1.31D+00  1.23D+00  1.28D+00  1.25D+00  1.10D+00
 E= -401.243408155993     Delta-E=       -0.000000000045 Rises=F Damp=F
 DIIS: error= 5.42D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -401.243408155993     IErMin=11 ErrMin= 5.42D-08
 ErrMax= 5.42D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.80D-12 BMatP= 2.40D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.426D-05-0.106D-03-0.997D-04 0.599D-03 0.128D-02 0.194D-02
 Coeff-Com: -0.497D-02-0.353D-01-0.446D-01 0.228D+00 0.853D+00
 Coeff:      0.426D-05-0.106D-03-0.997D-04 0.599D-03 0.128D-02 0.194D-02
 Coeff:     -0.497D-02-0.353D-01-0.446D-01 0.228D+00 0.853D+00
 Gap=     0.383 Goal=   None    Shift=    0.000
 RMSDP=4.52D-08 MaxDP=4.49D-06 DE=-4.49D-11 OVMax= 1.63D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.46D-08    CP:  1.08D+00  1.16D+00  1.17D+00  1.13D+00  1.48D+00
                    CP:  1.31D+00  1.23D+00  1.28D+00  1.27D+00  1.18D+00
                    CP:  1.09D+00
 E= -401.243408156011     Delta-E=       -0.000000000018 Rises=F Damp=F
 DIIS: error= 1.77D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -401.243408156011     IErMin=12 ErrMin= 1.77D-08
 ErrMax= 1.77D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.83D-13 BMatP= 2.80D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.145D-05-0.141D-04-0.211D-04-0.803D-05 0.949D-04 0.714D-03
 Coeff-Com:  0.150D-02-0.211D-02-0.206D-01-0.553D-01 0.142D+00 0.934D+00
 Coeff:      0.145D-05-0.141D-04-0.211D-04-0.803D-05 0.949D-04 0.714D-03
 Coeff:      0.150D-02-0.211D-02-0.206D-01-0.553D-01 0.142D+00 0.934D+00
 Gap=     0.383 Goal=   None    Shift=    0.000
 RMSDP=1.40D-08 MaxDP=1.13D-06 DE=-1.78D-11 OVMax= 5.56D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  9.67D-09    CP:  1.08D+00  1.16D+00  1.17D+00  1.13D+00  1.48D+00
                    CP:  1.31D+00  1.23D+00  1.28D+00  1.26D+00  1.19D+00
                    CP:  1.17D+00  1.01D+00
 E= -401.243408156028     Delta-E=       -0.000000000017 Rises=F Damp=F
 DIIS: error= 6.04D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -401.243408156028     IErMin=13 ErrMin= 6.04D-09
 ErrMax= 6.04D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.56D-14 BMatP= 2.83D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.311D-06 0.112D-04 0.873D-05-0.782D-04-0.142D-03-0.111D-03
 Coeff-Com:  0.869D-03 0.429D-02 0.192D-02-0.395D-01-0.862D-01 0.187D+00
 Coeff-Com:  0.932D+00
 Coeff:     -0.311D-06 0.112D-04 0.873D-05-0.782D-04-0.142D-03-0.111D-03
 Coeff:      0.869D-03 0.429D-02 0.192D-02-0.395D-01-0.862D-01 0.187D+00
 Coeff:      0.932D+00
 Gap=     0.383 Goal=   None    Shift=    0.000
 RMSDP=6.31D-09 MaxDP=6.35D-07 DE=-1.69D-11 OVMax= 2.44D-07

 SCF Done:  E(RLC-PBE+HF-PBE) =  -401.243408156     A.U. after   13 cycles
            NFock= 13  Conv=0.63D-08     -V/T= 2.0053
 KE= 3.991121675542D+02 PE=-1.764695917057D+03 EE= 5.510795132741D+02
 Leave Link  502 at Mon Aug 16 21:21:47 2021, MaxMem=  5637144576 cpu:             876.7 elap:             110.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   283
 NBasis=   283 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    283 NOA=    32 NOB=    32 NVA=   251 NVB=   251

 **** Warning!!: The largest alpha MO coefficient is  0.61477969D+02

 Leave Link  801 at Mon Aug 16 21:21:47 2021, MaxMem=  5637144576 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5894 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.34D-13 8.33D-09 XBig12= 1.00D+00 1.56D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.34D-13 8.33D-09 XBig12= 1.64D-01 4.46D-02.
     11 vectors produced by pass  2 Test12= 1.34D-13 8.33D-09 XBig12= 2.51D-02 2.34D-02.
     11 vectors produced by pass  3 Test12= 1.34D-13 8.33D-09 XBig12= 2.09D-03 6.68D-03.
     11 vectors produced by pass  4 Test12= 1.34D-13 8.33D-09 XBig12= 8.77D-05 1.34D-03.
     11 vectors produced by pass  5 Test12= 1.34D-13 8.33D-09 XBig12= 3.01D-06 2.01D-04.
     11 vectors produced by pass  6 Test12= 1.34D-13 8.33D-09 XBig12= 1.00D-07 4.23D-05.
     11 vectors produced by pass  7 Test12= 1.34D-13 8.33D-09 XBig12= 2.59D-09 8.21D-06.
     11 vectors produced by pass  8 Test12= 1.34D-13 8.33D-09 XBig12= 5.22D-11 1.22D-06.
      9 vectors produced by pass  9 Test12= 1.34D-13 8.33D-09 XBig12= 8.61D-13 1.47D-07.
      4 vectors produced by pass 10 Test12= 1.34D-13 8.33D-09 XBig12= 1.37D-14 1.45D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   112 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.811660D+02
      2 -0.275438D+01  0.831208D+02
      3  0.203697D+01 -0.135126D+01  0.733874D+02
 Isotropic polarizability for W=    0.088559       79.22 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.759012D+02  0.117876D+02  0.215084D+02
      2   0.423322D+02 -0.837738D+01 -0.159593D+02
      3   0.335690D+02 -0.341018D+01 -0.554906D+01
      4  -0.115331D+02 -0.255546D+02  0.123276D+02
      5   0.160587D+02  0.943316D+01 -0.528034D+02
      6   0.116806D+02 -0.119038D+02 -0.218133D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.172618D+01  0.176729D+01  0.812213D+01
      2   0.109012D+02  0.211375D+01 -0.272043D+02
      3  -0.101975D+02  0.133122D+02 -0.175600D+00
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.289445D+01  0.405556D+01  0.184031D+02
      2   0.544965D+01  0.647033D+00 -0.863724D+02
      3  -0.233207D+02  0.678867D+02  0.224742D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.245460D+00 -0.197898D+01 -0.958500D-01
      2  -0.197898D+01 -0.789130D+00  0.116232D+01
      3  -0.958500D-01  0.116232D+01  0.755640D+00
 OR G Eigenvalues:    -2.5518     0.5227     2.2410  Iso=    -0.0707
 Eigenvectors:
   (1)   0.551315   0.791976  -0.262346
   (2)   0.559970  -0.118166   0.820043
   (3)   0.618454  -0.599008  -0.508629
 w=    0.088559 a.u., Optical Rotation Beta=     -0.0707 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =      -30.58 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   40186 ScalPx= 6.81D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.94D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.23D-14 2.78D-09 XBig12= 1.00D+00 3.61D-01.
     30 vectors produced by pass  1 Test12= 2.23D-14 2.78D-09 XBig12= 2.33D-02 2.60D-02.
     30 vectors produced by pass  2 Test12= 2.23D-14 2.78D-09 XBig12= 1.18D-03 4.90D-03.
     30 vectors produced by pass  3 Test12= 2.23D-14 2.78D-09 XBig12= 1.39D-05 4.95D-04.
     30 vectors produced by pass  4 Test12= 2.23D-14 2.78D-09 XBig12= 2.18D-07 4.82D-05.
     30 vectors produced by pass  5 Test12= 2.23D-14 2.78D-09 XBig12= 2.47D-09 4.83D-06.
     30 vectors produced by pass  6 Test12= 2.23D-14 2.78D-09 XBig12= 2.38D-11 3.97D-07.
     30 vectors produced by pass  7 Test12= 2.23D-14 2.78D-09 XBig12= 1.76D-13 4.92D-08.
      1 vectors produced by pass  8 Test12= 2.23D-14 2.78D-09 XBig12= 1.20D-15 3.47D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   241 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 2.75D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 2.75D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.63D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.811660D+02 -0.275438D+01  0.203697D+01
      2  -0.275438D+01  0.831208D+02 -0.135126D+01
      3   0.203697D+01 -0.135126D+01  0.733874D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.172618D+01  0.176729D+01  0.812213D+01
      2   0.109012D+02  0.211375D+01 -0.272043D+02
      3  -0.101975D+02  0.133122D+02 -0.175600D+00
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.759012D+02  0.117876D+02  0.215084D+02
      2   0.423322D+02 -0.837738D+01 -0.159593D+02
      3   0.335690D+02 -0.341018D+01 -0.554906D+01
      4  -0.115331D+02 -0.255546D+02  0.123276D+02
      5   0.160587D+02  0.943316D+01 -0.528034D+02
      6   0.116806D+02 -0.119038D+02 -0.218133D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.501425D+01  0.145708D+01 -0.390221D+01  0.112446D+01 -0.340067D+01
      2   0.145708D+01 -0.341305D+01 -0.695548D+00 -0.340067D+01  0.153589D+01
      3  -0.390221D+01 -0.695548D+00  0.173150D+00 -0.456736D+00 -0.273711D+01
                 6             7             8             9            10 
      1  -0.456736D+00 -0.310295D+01 -0.550001D+00 -0.151988D+00 -0.430056D+01
      2  -0.273711D+01 -0.550001D+00 -0.208394D+01 -0.222058D+01 -0.116155D+00
      3  -0.174086D+01 -0.151988D+00 -0.222058D+01  0.231643D+01  0.301472D+01
                11            12            13            14            15 
      1  -0.116155D+00  0.301472D+01  0.924186D+00  0.418178D+01  0.747056D+00
      2   0.363294D+01  0.860217D+00  0.418178D+01  0.145711D+01  0.296854D+01
      3   0.860217D+00  0.332634D+00  0.747056D+00  0.296854D+01  0.276547D+01
                16            17            18            19            20 
      1   0.426580D+01  0.940408D+00  0.296199D+00  0.398193D+01 -0.686832D-01
      2   0.940408D+00  0.284451D+01  0.343354D+01 -0.686832D-01 -0.189195D+01
      3   0.296199D+00  0.343354D+01 -0.339508D+01 -0.182268D+01 -0.123246D+01
                21            22            23            24            25 
      1  -0.182268D+01  0.251643D+00 -0.263128D+01 -0.956274D+00 -0.210979D+01
      2  -0.123246D+01 -0.263128D+01  0.391736D+00  0.167678D+00 -0.141800D+01
      3   0.521444D+00 -0.956274D+00  0.167678D+00 -0.228925D+01  0.989673D+00
                26            27            28            29            30 
      1  -0.141800D+01  0.989673D+00  0.929233D-01  0.779205D+00  0.707817D-01
      2  -0.458292D+00 -0.307601D+01  0.779205D+00  0.230033D+01  0.113968D+01
      3  -0.307601D+01  0.409889D+01  0.707817D-01  0.113968D+01  0.460408D+00
                31            32            33            34            35 
      1  -0.828338D+00  0.124043D+00  0.807086D+00 -0.851127D+00  0.129836D+01
      2   0.124043D+00 -0.571994D+01  0.119550D+01  0.129836D+01  0.221027D+01
      3   0.807086D+00  0.119550D+01  0.747858D+00 -0.303357D+00  0.130848D+01
                36            37            38            39            40 
      1  -0.303357D+00  0.543879D+01 -0.905312D+00  0.200198D+01  0.532025D+00
      2   0.130848D+01 -0.905312D+00  0.316773D+00 -0.174398D-01  0.197233D+01
      3  -0.248149D+00  0.200198D+01 -0.174398D-01  0.126043D+01  0.109458D+01
                41            42            43            44            45 
      1   0.197233D+01  0.109458D+01  0.263313D+01 -0.600496D-01  0.222462D+01
      2   0.378166D+01  0.195528D+01 -0.600496D-01  0.463171D+00 -0.619946D+00
      3   0.195528D+01  0.984841D+00  0.222462D+01 -0.619946D+00  0.345318D+01
                46            47            48            49            50 
      1   0.558810D+01  0.285298D+00 -0.281013D+01  0.878008D+00 -0.310920D+01
      2   0.285298D+00 -0.305864D+01 -0.371218D+00 -0.310920D+01 -0.734837D+00
      3  -0.281013D+01 -0.371218D+00  0.318340D+00 -0.572929D+00 -0.189998D+01
                51            52            53            54            55 
      1  -0.572929D+00 -0.334313D+01 -0.400246D+00  0.993830D+00  0.959175D+00
      2  -0.189998D+01 -0.400246D+00 -0.154989D+01 -0.269918D+01  0.609306D+00
      3  -0.204476D+01  0.993830D+00 -0.269918D+01  0.595419D+01  0.185925D+01
                56            57            58            59            60 
      1   0.609306D+00  0.185925D+01  0.293412D+00  0.330647D+01  0.103485D-01
      2   0.346179D+01  0.236442D+00  0.330647D+01 -0.297775D+00  0.886415D+00
      3   0.236442D+00 -0.189848D+01  0.103485D-01  0.886415D+00  0.588786D+00
                61            62            63            64            65 
      1   0.284745D+01 -0.881199D+00 -0.235004D+01 -0.115001D+01  0.282911D+01
      2  -0.881199D+00  0.176088D+01  0.838802D+00  0.282911D+01  0.147747D+00
      3  -0.235004D+01  0.838802D+00  0.167428D+01 -0.497131D+00 -0.475411D+00
                66            67            68            69            70 
      1  -0.497131D+00  0.389283D+01  0.107313D+01  0.142549D-01 -0.296532D+00
      2  -0.475411D+00  0.107313D+01  0.133557D+02 -0.134971D+01 -0.483122D+00
      3  -0.362439D+00  0.142549D-01 -0.134971D+01  0.203965D+01  0.216154D+00
                71            72            73            74            75 
      1  -0.483122D+00  0.216154D+00 -0.119781D+01  0.468918D+00 -0.828519D+00
      2  -0.923876D+00  0.262532D+01  0.468918D+00 -0.140832D-01  0.162522D+00
      3   0.262532D+01 -0.855088D+00 -0.828519D+00  0.162522D+00 -0.393792D+00
                76            77            78            79            80 
      1   0.720479D+00  0.115129D+00  0.163401D+00 -0.137807D+01  0.509067D+00
      2   0.115129D+00  0.114699D+01 -0.156864D+01  0.509067D+00 -0.197363D+01
      3   0.163401D+00 -0.156864D+01  0.194830D+01 -0.133706D+00  0.172193D+01
                81            82            83            84            85 
      1  -0.133706D+00 -0.221408D+01 -0.157282D+01 -0.161302D+01 -0.238392D+01
      2   0.172193D+01 -0.157282D+01 -0.231934D+01 -0.750700D+00 -0.237962D+01
      3  -0.752672D+01 -0.161302D+01 -0.750700D+00 -0.131418D+01 -0.752144D+00
                86            87            88            89            90 
      1  -0.237962D+01 -0.752144D+00 -0.223997D+01 -0.753637D+00 -0.119478D+01
      2  -0.494359D+01 -0.205804D+01 -0.753637D+00 -0.233064D+01 -0.207239D+01
      3  -0.205804D+01 -0.220088D+01 -0.119478D+01 -0.207239D+01 -0.191908D+01
                91            92            93            94            95 
      1   0.119277D+01 -0.835139D+00  0.741318D-01 -0.244364D+01 -0.169203D+00
      2  -0.835139D+00 -0.331084D-01 -0.602907D+00 -0.169203D+00 -0.511414D+01
      3   0.741318D-01 -0.602907D+00  0.136378D+00 -0.166969D+01 -0.614967D+00
                96            97            98            99           100 
      1  -0.166969D+01  0.105559D+00 -0.688230D+00  0.475192D-01 -0.224446D+01
      2  -0.614967D+00 -0.688230D+00 -0.219329D+00 -0.947946D+00 -0.171177D+01
      3  -0.228681D+01  0.475192D-01 -0.947946D+00  0.834401D+00 -0.150073D-01
               101           102           103           104           105 
      1  -0.171177D+01 -0.150073D-01 -0.216521D+01 -0.194249D+01 -0.300429D+00
      2  -0.403682D+01 -0.691992D+00 -0.194249D+01 -0.635832D+01 -0.121726D+01
      3  -0.691992D+00 -0.728603D+00 -0.300429D+00 -0.121726D+01 -0.136511D+01
               106           107           108           109           110 
      1   0.238598D+00  0.437179D-01  0.123776D+00  0.348239D+01 -0.158319D+01
      2   0.437179D-01 -0.389820D+00 -0.593455D+00 -0.158319D+01  0.178059D+01
      3   0.123776D+00 -0.593455D+00 -0.210408D+00 -0.226815D+01  0.128965D+01
               111           112           113           114           115 
      1  -0.226815D+01 -0.689456D+00  0.961228D+00  0.562841D+00 -0.306801D+01
      2   0.128965D+01  0.961228D+00 -0.145570D+01 -0.109916D+01  0.146927D+01
      3   0.318457D+01  0.562841D+00 -0.109916D+01 -0.980651D+00  0.284775D+01
               116           117           118           119           120 
      1   0.146927D+01  0.284775D+01 -0.975594D+01  0.131102D+01  0.152462D+01
      2  -0.201102D+01 -0.201414D+01  0.131102D+01 -0.124701D+01  0.159522D-02
      3  -0.201414D+01 -0.370148D+01  0.152462D+01  0.159522D-02 -0.160854D+01
               121           122           123           124           125 
      1  -0.555043D+00 -0.715364D+00  0.537524D-01  0.279782D+01 -0.449584D+00
      2  -0.715364D+00  0.152227D+00  0.475176D+00 -0.449584D+00  0.808004D+00
      3   0.537524D-01  0.475176D+00 -0.715856D-01 -0.153297D+01  0.365334D+00
               126           127           128           129           130 
      1  -0.153297D+01  0.136598D+01  0.642660D+00  0.751584D+00  0.163039D+01
      2   0.365334D+00  0.642660D+00  0.183128D+01  0.381756D+00  0.586879D+00
      3   0.508666D+00  0.751584D+00  0.381756D+00  0.776699D+00  0.356005D+00
               131           132           133           134           135 
      1   0.586879D+00  0.356005D+00  0.126686D+01  0.651311D-01  0.183056D+00
      2   0.513566D+01  0.124269D+01  0.651311D-01  0.219386D+01  0.145479D+01
      3   0.124269D+01  0.165615D+01  0.183056D+00  0.145479D+01  0.751113D+00
               136           137           138           139           140 
      1  -0.105983D+01  0.347482D+00 -0.873594D+00  0.193633D+00 -0.113653D+00
      2   0.347482D+00  0.147890D+00  0.180048D+00 -0.113653D+00  0.122266D+01
      3  -0.873594D+00  0.180048D+00 -0.586501D+00  0.357425D+00 -0.120278D+01
               141           142           143           144           145 
      1   0.357425D+00 -0.187750D+01  0.856228D+00 -0.159015D+01 -0.751367D+01
      2  -0.120278D+01  0.856228D+00 -0.204554D+01  0.237978D+01 -0.116583D+01
      3   0.141844D+01 -0.159015D+01  0.237978D+01 -0.803179D+01  0.349974D+01
               146           147           148           149           150 
      1  -0.116583D+01  0.349974D+01 -0.885392D+00 -0.755820D+00  0.419597D+00
      2  -0.116829D+01  0.781807D+00 -0.755820D+00 -0.786588D+00  0.885161D+00
      3   0.781807D+00 -0.320665D+01  0.419597D+00  0.885161D+00 -0.178466D+00
               151           152           153           154           155 
      1   0.229164D+01  0.418094D+00 -0.204257D+01  0.131181D+01 -0.149517D+01
      2   0.418094D+00  0.668720D+00 -0.249118D+00 -0.149517D+01  0.221634D+01
      3  -0.204257D+01 -0.249118D+00  0.202289D+01  0.776609D+00 -0.717406D+00
               156           157           158           159           160 
      1   0.776609D+00 -0.192280D+01  0.178254D+01 -0.261539D+00  0.644085D+00
      2  -0.717406D+00  0.178254D+01 -0.546498D+01  0.217077D+01 -0.351051D+00
      3   0.139290D+01 -0.261539D+00  0.217077D+01 -0.218736D+01  0.704868D+00
               161           162           163           164           165 
      1  -0.351051D+00  0.704868D+00  0.100823D+01  0.723996D+00  0.105702D+01
      2   0.141519D+01 -0.113253D+01  0.723996D+00  0.134662D+01  0.521366D+00
      3  -0.113253D+01  0.107724D+01  0.105702D+01  0.521366D+00  0.154225D+01
               166           167           168           169           170 
      1   0.143274D+01  0.111377D+01  0.383397D+00  0.117613D+01  0.434855D+00
      2   0.111377D+01  0.269627D+01  0.180044D+01  0.434855D+00  0.162139D+01
      3   0.383397D+00  0.180044D+01  0.319623D+01  0.672122D+00  0.149731D+01
               171 
      1   0.672122D+00
      2   0.149731D+01
      3   0.319652D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.415818D+00 -0.713846D+01 -0.104663D+01 -0.634107D+01  0.194113D+01
      2  -0.258547D+01 -0.261844D+01  0.106238D+02 -0.197512D+01  0.102224D+02
      3  -0.191952D+01 -0.830355D+01  0.216428D+01 -0.407241D+01  0.460709D+01
                 6             7             8             9            10 
      1  -0.100051D+02 -0.112080D+01 -0.408914D+01 -0.359441D+00  0.145340D+01
      2   0.351665D+01  0.416438D+01  0.412258D+01 -0.369681D+01 -0.762883D+01
      3  -0.355354D+01  0.145632D+01 -0.243133D+01 -0.309733D+01  0.219959D+01
                11            12            13            14            15 
      1   0.677190D-03  0.368296D-01  0.515130D-01  0.473452D+00 -0.323660D+01
      2  -0.205774D+01  0.378027D+01  0.150630D+01 -0.231204D+01 -0.301052D+01
      3   0.308347D+01  0.177281D+01  0.865509D+01 -0.103498D+01  0.343436D+01
                16            17            18            19            20 
      1  -0.118941D+01  0.225256D+01 -0.186192D+01 -0.179724D+01  0.170208D+01
      2  -0.140006D+01 -0.229375D+01  0.468394D+01  0.113858D+01  0.362117D+00
      3  -0.117779D+01  0.263924D+01  0.387525D+01 -0.559347D+00 -0.346104D+01
                21            22            23            24            25 
      1  -0.112957D+01  0.411773D+01 -0.200650D+00  0.690722D+00  0.246686D+01
      2  -0.113207D+01 -0.705926D+00 -0.206746D+01  0.240916D+01 -0.708773D+01
      3   0.872701D-01  0.339646D+01 -0.669778D+00 -0.268482D+01  0.115811D+01
                26            27            28            29            30 
      1   0.385089D+01  0.276101D+01 -0.115672D+01 -0.443176D+01  0.300603D+00
      2  -0.151930D+01  0.318939D+01  0.119316D+02  0.412792D+01  0.247997D+01
      3  -0.905835D+00  0.178715D+00 -0.279086D+01 -0.761784D+01 -0.239665D+01
                31            32            33            34            35 
      1  -0.348714D+01  0.640662D+00  0.672079D+01  0.246626D+01  0.695466D+01
      2  -0.723920D+00  0.134410D+01 -0.571283D+00 -0.898809D+01 -0.244242D+01
      3  -0.594546D+01  0.781612D+01  0.200185D+01 -0.232238D+00  0.368113D+01
                36            37            38            39            40 
      1  -0.153255D+01 -0.904568D+00  0.384137D+01  0.845422D+00  0.279138D+01
      2  -0.908424D+01 -0.179118D+01 -0.124279D+01  0.526813D+01  0.297914D+00
      3  -0.130996D+00  0.220565D+01 -0.688357D+01  0.705808D+00 -0.169036D+01
                41            42            43            44            45 
      1   0.823470D+01  0.198680D-01 -0.960572D+00  0.498675D+01 -0.375306D+00
      2   0.340926D+01  0.302563D+01  0.205244D+01  0.935301D+00  0.897442D+01
      3  -0.126782D+02 -0.607976D+01 -0.178413D+01 -0.556238D+01  0.884642D+00
                46            47            48            49            50 
      1   0.304693D+01  0.250827D+01 -0.453209D+00  0.244924D+01  0.212103D+01
      2   0.982854D+01  0.108762D+01 -0.530839D+00  0.152561D+01  0.254874D+01
      3   0.798671D+01 -0.113049D+02 -0.436533D+01 -0.475610D+01 -0.634302D+01
                51            52            53            54            55 
      1   0.185234D+01 -0.239119D+01  0.705700D+01 -0.720864D+01  0.402656D+01
      2   0.459835D+01 -0.679490D+01  0.638709D+01 -0.130378D+02  0.316704D+01
      3  -0.535251D+01 -0.485878D+01 -0.466789D+01 -0.506942D+01 -0.367658D+01
                56            57            58            59            60 
      1  -0.338948D+01 -0.348735D+01 -0.343307D+01  0.376446D+01 -0.368608D+01
      2  -0.678542D+00  0.226071D+01 -0.872948D+00  0.424232D+01 -0.113623D+01
      3  -0.118798D+02 -0.442703D+01 -0.161379D+01 -0.665962D+01 -0.126810D+01
                61            62            63            64            65 
      1  -0.571865D+01  0.576404D+01  0.352892D+01  0.126567D+01  0.579607D+00
      2  -0.502435D+01  0.128736D+01  0.147896D+01 -0.346111D+01 -0.168148D+01
      3  -0.344428D+01 -0.747356D+00  0.431013D+01 -0.492928D+01  0.217485D+00
                66            67            68            69            70 
      1  -0.584523D+00 -0.110828D+01 -0.117422D+01 -0.124622D+02 -0.732209D+00
      2   0.140631D+01  0.312578D+01 -0.313953D+00  0.228975D+01 -0.146264D+01
      3   0.833934D+00  0.136703D+02 -0.154457D+02  0.174756D+01  0.817807D+00
                71            72            73            74            75 
      1  -0.117778D+00  0.553877D+00 -0.740185D+00  0.428147D+00 -0.160523D+00
      2   0.479283D+01  0.111214D+01 -0.145539D+01  0.676114D+00  0.127529D+00
      3  -0.202243D+00 -0.442133D+01  0.285379D+00 -0.507737D+00  0.487376D+00
                76            77            78            79            80 
      1  -0.190194D+00 -0.214111D+01  0.254848D+00 -0.978066D+00  0.474179D+01
      2   0.162710D+01 -0.593656D+00 -0.138159D+00 -0.385584D+01  0.841962D+00
      3   0.172305D+01  0.664610D-02  0.839871D+00 -0.314029D+00  0.120055D+00
                81            82            83            84            85 
      1  -0.145711D+01 -0.450953D+00  0.666843D+00 -0.129913D+01  0.458939D+00
      2  -0.100354D+00  0.877846D+00  0.465507D+00  0.248428D+01 -0.164285D+01
      3  -0.389985D+00 -0.325985D+00 -0.419874D+01 -0.186920D+00  0.141018D+01
                86            87            88            89            90 
      1   0.112652D+01 -0.256893D+01 -0.321919D+00  0.150908D+01 -0.733460D+00
      2   0.124616D+01  0.353225D+01 -0.165842D+01  0.219220D+01  0.215611D+01
      3  -0.633884D+01 -0.275357D+01  0.176019D+01 -0.322220D+01 -0.229266D+01
                91            92            93            94            95 
      1  -0.699996D-02 -0.257817D+01  0.266698D+00 -0.235096D+01 -0.104698D+02
      2   0.198868D+01 -0.922229D-01  0.639226D-01 -0.807038D+00 -0.180057D+01
      3   0.159074D+00  0.110778D+01  0.957942D+00  0.274937D+01  0.168725D+02
                96            97            98            99           100 
      1  -0.334911D+01 -0.632167D+00 -0.103787D+01  0.117972D+01  0.951308D+00
      2  -0.503564D+01 -0.911069D+00 -0.252840D+01  0.286916D-01 -0.187525D+01
      3   0.417536D+01  0.570557D+00  0.337296D+01  0.240416D+01  0.883459D+01
               101           102           103           104           105 
      1   0.202261D+01 -0.227939D+01  0.311085D+00  0.240794D+01 -0.324365D+01
      2  -0.803233D+00  0.609322D+00 -0.165262D+01 -0.178361D+01 -0.318041D+00
      3   0.585042D+01  0.342809D+00  0.787656D+01  0.947751D+01  0.223739D+01
               106           107           108           109           110 
      1   0.365613D+00  0.216219D+00  0.585560D+00 -0.335137D+01  0.118726D+01
      2   0.148195D+00 -0.447528D-01  0.497303D+00  0.551612D+00  0.574353D+00
      3  -0.898769D+00  0.232139D+00 -0.567928D-02 -0.518975D+01  0.484231D+00
               111           112           113           114           115 
      1   0.665361D+01  0.534385D+00 -0.970635D+00 -0.196512D+01  0.453342D+01
      2   0.329852D+01 -0.577160D-01 -0.274808D+00 -0.897488D+00 -0.704425D+00
      3   0.302415D+01  0.148980D+01  0.216586D+00 -0.180817D+00  0.490609D+01
               116           117           118           119           120 
      1  -0.115270D+01 -0.596946D+01 -0.252418D+01  0.652615D-01  0.211109D+01
      2  -0.114782D+01 -0.286627D+01 -0.793606D+01  0.406899D+00  0.744793D+01
      3  -0.159769D+00 -0.381037D+01 -0.816381D+01 -0.455342D+01  0.206740D+01
               121           122           123           124           125 
      1   0.395288D+00 -0.555399D+00 -0.920196D+00  0.146342D+01  0.313127D+00
      2  -0.937135D-01 -0.165027D+01  0.342647D+00  0.379985D+01 -0.744401D+00
      3  -0.930076D+00 -0.592920D+00  0.133476D+01  0.222124D+01  0.250627D+01
               126           127           128           129           130 
      1  -0.850290D+00 -0.137801D+01 -0.103190D+01 -0.174735D+01 -0.109724D+01
      2  -0.257351D+01 -0.148750D+01 -0.505717D+00 -0.851608D+00 -0.616755D+00
      3  -0.569901D+00  0.617833D+01  0.534613D+01  0.229961D+01  0.714885D+01
               131           132           133           134           135 
      1  -0.366693D+01 -0.469577D+01 -0.418640D+00 -0.143988D+01 -0.208315D+01
      2  -0.254231D+01 -0.312768D+01 -0.148334D+01 -0.275893D+01 -0.142708D+01
      3   0.129791D+02  0.404554D+01  0.277828D+01  0.521291D+01  0.357812D+01
               136           137           138           139           140 
      1   0.622880D+00 -0.454091D+00  0.565734D+00 -0.547826D+00  0.176282D+00
      2   0.124862D+01 -0.554139D+00  0.173474D+01 -0.382480D+00  0.245071D+01
      3  -0.318776D-01  0.758043D-01 -0.888321D-01  0.144976D+01  0.268460D+01
               141           142           143           144           145 
      1  -0.212087D+01  0.687353D+00  0.154999D+01  0.833231D+01  0.101983D+01
      2  -0.311547D+01 -0.100797D+01 -0.410517D+01  0.169322D+02  0.805567D+01
      3  -0.214817D+01 -0.676794D+00 -0.416845D+01  0.412995D+01  0.476834D+01
               146           147           148           149           150 
      1  -0.226949D+01 -0.165436D+01 -0.387167D+00 -0.262412D+00  0.136860D+00
      2   0.412323D+00  0.207171D+01  0.949232D+00 -0.588816D+00 -0.294509D+00
      3  -0.321840D+01 -0.130255D+01  0.658648D+00 -0.702578D+00  0.876059D+00
               151           152           153           154           155 
      1  -0.956227D+00  0.207011D+01  0.114862D+01 -0.218168D+01  0.437919D+01
      2  -0.266596D+01 -0.603571D+00 -0.206396D+00 -0.489863D+01  0.380491D+01
      3  -0.132956D+01  0.129719D+01  0.141547D+01 -0.453945D+01  0.350925D+01
               156           157           158           159           160 
      1   0.144223D+01  0.386451D+01 -0.794221D+01 -0.124876D+01  0.344768D+00
      2  -0.157640D+01  0.490986D+01 -0.662121D+01  0.254149D+01 -0.299125D+01
      3  -0.120892D+01  0.671474D+01 -0.821619D+01  0.245521D+01 -0.118934D+01
               161           162           163           164           165 
      1   0.238348D+01 -0.740866D+00  0.252115D+01  0.391203D+01  0.161981D+01
      2   0.217651D+01 -0.209139D+01 -0.465025D+01 -0.235922D+01 -0.287287D+01
      3   0.172634D+01 -0.241122D+01  0.885525D+00  0.693772D+00 -0.919847D-01
               166           167           168           169           170 
      1   0.295030D+01  0.717291D+01  0.313365D+01  0.171544D+01  0.574834D+01
      2  -0.441072D+01 -0.491494D+01 -0.461089D+01 -0.471217D+01 -0.317037D+01
      3   0.264874D+01  0.264474D+01  0.189216D+01  0.237107D+00  0.127922D+01
               171 
      1   0.440702D+01
      2  -0.498814D+01
      3   0.142245D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.129289D+02 -0.781804D+01  0.168063D+02 -0.698561D+01  0.178694D+02
      2   0.125881D+02  0.118939D+02 -0.847336D+01  0.106072D+02 -0.836668D+01
      3   0.340803D+00 -0.407581D+01 -0.833291D+01 -0.362157D+01 -0.950275D+01
      4  -0.106214D+02  0.536958D+01  0.704611D+01  0.640331D+01  0.167256D+01
      5   0.239498D+02  0.519471D+01 -0.112046D+02  0.342788D+01 -0.176204D+01
      6   0.817976D+01 -0.911927D+01 -0.325405D+01 -0.839317D+01  0.554855D+01
                 6             7             8             9            10 
      1   0.422734D+01  0.123730D+02  0.396854D+01 -0.715017D+01  0.981036D+01
      2   0.797856D+01 -0.595810D+01  0.654565D+01 -0.149284D+01 -0.114192D+02
      3  -0.122059D+02 -0.641487D+01 -0.105142D+02  0.864301D+01  0.160880D+01
      4   0.499376D+01  0.587748D+01  0.418442D+01  0.521909D+01 -0.394906D+01
      5   0.135539D+01 -0.874823D+01  0.330811D+01 -0.482208D+01 -0.107866D+02
      6  -0.689386D+01 -0.205627D+01 -0.502259D+01 -0.772372D+01 -0.541534D+01
                11            12            13            14            15 
      1   0.256849D+00 -0.882653D+01  0.353490D+01 -0.995569D+01 -0.166159D+01
      2  -0.809265D+00  0.336415D+01 -0.272609D+01 -0.393730D+00 -0.352215D+01
      3   0.552416D+00  0.546239D+01 -0.808810D+00  0.103494D+02  0.518374D+01
      4  -0.142784D+02 -0.489440D+01 -0.141629D+02 -0.845703D+01 -0.107987D+02
      5  -0.294426D+01 -0.133270D+01 -0.103791D+01 -0.121382D+02 -0.694770D+01
      6  -0.498937D+01 -0.667069D+00 -0.496951D+01 -0.479028D+01 -0.306405D+01
                16            17            18            19            20 
      1  -0.100195D+02 -0.132278D+01  0.249438D+01 -0.676754D+01 -0.702923D+01
      2   0.369919D+01 -0.184707D+01 -0.218897D+01  0.677955D+01  0.846263D+01
      3   0.632027D+01  0.316986D+01 -0.305412D+00 -0.120093D-01 -0.143340D+01
      4  -0.262271D+01 -0.874190D+01 -0.104319D+02  0.523611D+01  0.212728D+00
      5  -0.249010D+01 -0.968193D+01  0.764256D+01  0.841118D+00 -0.120063D+01
      6  -0.206572D+01 -0.511376D+01 -0.127332D+00  0.422171D+01  0.502660D+01
                21            22            23            24            25 
      1  -0.271803D+00 -0.296139D+01  0.331912D+01 -0.336816D+01  0.449107D+01
      2   0.394721D+00  0.371462D+01 -0.584448D+00 -0.465620D+01  0.603772D+00
      3  -0.122917D+00 -0.753226D+00 -0.273468D+01  0.802436D+01 -0.509484D+01
      4   0.680840D+00 -0.448253D+01  0.977760D+01  0.101364D+01 -0.105683D+01
      5  -0.953184D+00 -0.140490D+01  0.269728D+01  0.488968D+01  0.237473D+01
      6   0.395522D+01  0.961909D+00 -0.625754D-01 -0.729645D+01 -0.511570D+00
                26            27            28            29            30 
      1  -0.595023D+01  0.725818D+01 -0.526616D+01  0.186345D+01 -0.512903D+00
      2  -0.137018D+01  0.128197D+02  0.178840D+01 -0.207476D+01  0.732891D+01
      3   0.732041D+01 -0.200779D+02  0.347776D+01  0.211315D+00 -0.681600D+01
      4   0.458520D+01 -0.253432D+01  0.354287D+01  0.298065D+01  0.147158D+01
      5  -0.857008D+00 -0.110938D+01 -0.702623D+01  0.349988D+01 -0.182295D+01
      6   0.316367D+01  0.573488D+01 -0.155062D+01 -0.214821D+01  0.232356D+01
                31            32            33            34            35 
      1   0.722291D+01  0.186891D+02  0.105977D+01 -0.117696D+02  0.550719D+01
      2  -0.762661D+01 -0.345945D+02 -0.137135D+01  0.961956D+01 -0.128928D+01
      3   0.403699D+00  0.159055D+02  0.311586D+00  0.215004D+01 -0.421791D+01
      4  -0.146764D+02 -0.174921D+02  0.309490D+01  0.417405D+01 -0.502995D-01
      5   0.598665D+01  0.588530D+01 -0.445648D+00  0.421740D+00  0.158035D+01
      6   0.126966D+00  0.219593D+01 -0.113747D+02 -0.796959D+00  0.123276D+01
                36            37            38            39            40 
      1  -0.109738D+01  0.358566D+02 -0.204234D+01  0.724228D+01  0.211824D+01
      2  -0.175104D+01 -0.238568D+02  0.163546D+01 -0.979257D+01 -0.123969D+01
      3   0.284842D+01 -0.119997D+02  0.406886D+00  0.255029D+01 -0.878553D+00
      4   0.115263D+01 -0.241357D+01  0.772488D+01  0.159246D+00  0.135974D+02
      5  -0.837531D+01  0.141876D+02 -0.136242D+01  0.143000D+02  0.234068D+01
      6  -0.844359D+00  0.637255D+00  0.918940D+00 -0.260755D+01  0.745505D+00
                41            42            43            44            45 
      1   0.596066D+01  0.404363D+01  0.112918D+02 -0.512266D+00  0.310337D+01
      2  -0.182282D+01 -0.326635D+01 -0.113805D+02  0.103811D+01 -0.156010D+02
      3  -0.413784D+01 -0.777287D+00  0.886822D-01 -0.525844D+00  0.124977D+02
      4   0.102915D+02  0.604826D+01 -0.276740D+01  0.346907D+01 -0.843176D+00
      5   0.625597D+01  0.284165D+01  0.158547D+02 -0.197539D+01  0.178486D+02
      6  -0.159444D+01  0.568797D+01  0.405615D+00  0.440768D+01 -0.118621D+00
                46            47            48            49            50 
      1  -0.363234D+02  0.501449D+01  0.165823D+02 -0.165259D+01  0.153192D+02
      2   0.195366D+02 -0.957411D+01 -0.936674D+01 -0.549772D+01 -0.883852D+01
      3   0.167868D+02  0.455962D+01 -0.721556D+01  0.715031D+01 -0.648070D+01
      4   0.483715D+01  0.117975D+02 -0.201005D+01  0.126824D+02 -0.295929D+01
      5   0.124365D+02  0.476948D+00 -0.275289D-01  0.121637D+01  0.949885D+01
      6  -0.493986D+01 -0.202053D-01  0.386431D+00  0.869470D+00 -0.459273D+01
                51            52            53            54            55 
      1   0.316843D+01  0.203772D+02  0.157745D+01  0.406363D+01  0.106573D+02
      2  -0.877428D+01 -0.936037D+01 -0.832210D+01  0.585067D+01 -0.505273D+01
      3   0.560585D+01 -0.110169D+02  0.674465D+01 -0.991430D+01 -0.560460D+01
      4   0.601361D+01 -0.182418D+01  0.447985D+01  0.896317D+01 -0.382445D+01
      5   0.890679D+01 -0.325911D+01  0.101243D+02 -0.249936D+02  0.495524D+01
      6  -0.340847D+01  0.188731D+01 -0.372464D+01  0.118914D+02 -0.762522D+01
                56            57            58            59            60 
      1   0.114166D+02  0.219187D+01  0.801466D+01  0.210491D+01  0.221348D+01
      2  -0.197840D+02 -0.589032D+01 -0.149971D+02  0.379608D+01 -0.341082D+01
      3   0.836742D+01  0.369844D+01  0.698241D+01 -0.590099D+01  0.119734D+01
      4   0.276211D+01 -0.453741D+01  0.650681D+01 -0.176692D+02  0.246709D+01
      5  -0.297285D+01 -0.613789D+00 -0.206086D+01 -0.204299D+01 -0.477521D+00
      6  -0.261452D+01  0.597785D+01 -0.779235D+00 -0.519208D+01  0.440030D+01
                61            62            63            64            65 
      1  -0.386183D+00  0.255800D+01 -0.426665D+01  0.274966D+01  0.665952D+01
      2  -0.350487D+01 -0.449312D+01 -0.898758D+00  0.503257D+01 -0.258431D+01
      3   0.389105D+01  0.193512D+01  0.516540D+01 -0.778223D+01 -0.407522D+01
      4  -0.609663D+01  0.457577D+01  0.949028D+01  0.633857D+01  0.155062D+02
      5  -0.560323D+01  0.473359D+01  0.907588D+01 -0.130120D+01 -0.219380D+01
      6   0.109774D+02 -0.240496D+01 -0.594229D+01 -0.923896D+00 -0.153510D+01
                66            67            68            69            70 
      1   0.465732D+00  0.277410D+01 -0.350196D+02  0.236856D+01  0.499079D+00
      2  -0.141703D+01  0.211751D+01  0.645975D+02 -0.222303D+01 -0.199146D+01
      3   0.951294D+00 -0.489160D+01 -0.295779D+02 -0.145537D+00  0.149238D+01
      4  -0.192821D+01  0.212832D+02  0.325532D+02 -0.329596D+01 -0.197566D+01
      5   0.415506D+01 -0.153108D+01 -0.714748D+01  0.677856D+01  0.440540D+01
      6   0.615571D+00 -0.146473D+01 -0.372890D+01  0.181132D+02  0.169377D+01
                71            72            73            74            75 
      1  -0.185082D+00 -0.753621D+01  0.682795D+00  0.421170D+00 -0.668737D+00
      2  -0.130742D+01  0.626085D+01 -0.468315D+01 -0.556364D-02 -0.820569D+00
      3   0.149250D+01  0.127537D+01  0.400035D+01 -0.415606D+00  0.148931D+01
      4  -0.212896D+01  0.653171D+01 -0.121471D+00  0.159816D+01 -0.724252D+00
      5   0.730776D+01 -0.238270D+01  0.958419D+00 -0.155612D+01  0.619581D+01
      6   0.152804D+02 -0.233657D+01 -0.199436D+01  0.296422D-01 -0.145879D+00
                76            77            78            79            80 
      1   0.281808D+00 -0.401946D+01  0.453191D+01 -0.383004D+00  0.311407D+01
      2   0.731383D+00 -0.105327D+01  0.401607D+01 -0.180587D+01  0.485935D+01
      3  -0.101319D+01  0.507273D+01 -0.854798D+01  0.218888D+01 -0.797342D+01
      4   0.222602D+01  0.350367D+00 -0.100287D+00 -0.101868D+00 -0.200246D+01
      5  -0.123334D+01  0.264432D+00 -0.271413D+00  0.521963D+01  0.958235D-01
      6   0.835510D+00 -0.423282D+01  0.809778D+01 -0.104669D+01  0.624791D+01
                81            82            83            84            85 
      1  -0.176396D+02  0.988969D+01  0.465158D+01  0.477221D+01  0.430811D+01
      2  -0.182462D+02 -0.248145D+01 -0.446895D-01 -0.189957D+01  0.133170D+01
      3   0.358858D+02 -0.740824D+01 -0.460689D+01 -0.287264D+01 -0.563981D+01
      4   0.838778D+00  0.118938D+02  0.137902D+02  0.568018D+01  0.142631D+02
      5  -0.225742D+00  0.812364D+01  0.496753D+01  0.766396D+01  0.513847D+01
      6  -0.563323D+01  0.429031D+01  0.391913D+01  0.366240D+01  0.425069D+01
                86            87            88            89            90 
      1  -0.993013D+00 -0.980804D-01  0.427701D+01 -0.132194D+01 -0.743823D+00
      2   0.107890D+02  0.342084D+01 -0.235066D+01  0.219920D+01 -0.129444D+01
      3  -0.979602D+01 -0.332276D+01 -0.192635D+01 -0.877260D+00  0.203826D+01
      4   0.205835D+02  0.862906D+01  0.530635D+01  0.879276D+01  0.860609D+01
      5   0.805354D+01  0.776219D+01  0.812800D+01  0.784877D+01  0.828459D+01
      6   0.101971D+02  0.847982D+01  0.392860D+01  0.916252D+01  0.773190D+01
                91            92            93            94            95 
      1   0.313979D+01 -0.312658D+01  0.111686D+00 -0.107287D+02 -0.312210D+01
      2  -0.383878D+00  0.547768D+00  0.183226D+01  0.661925D+01  0.267657D+01
      3  -0.275591D+01  0.257881D+01 -0.194395D+01  0.410949D+01  0.445526D+00
      4  -0.542272D+01  0.143562D+01 -0.216398D+01  0.744228D+00 -0.160610D+02
      5  -0.475679D+00 -0.218458D+01 -0.132502D+00 -0.722364D+01 -0.119331D+01
      6  -0.930741D+00  0.193773D+01 -0.130497D+01  0.305255D+01 -0.189178D+01
                96            97            98            99           100 
      1  -0.473439D+01 -0.247177D+01 -0.801645D+00 -0.163606D+01 -0.480224D+01
      2   0.580230D+01  0.208965D+01 -0.826872D-01  0.167380D+01  0.818658D+01
      3  -0.106792D+01  0.382127D+00  0.884333D+00 -0.377443D-01 -0.338433D+01
      4  -0.431925D-01 -0.350581D+01  0.331458D+00 -0.316494D+01  0.774843D+01
      5  -0.799592D+01  0.628033D+00 -0.307516D+01  0.100671D+01  0.319761D+01
      6   0.243447D+01 -0.107009D+00  0.291734D+01 -0.324350D+01  0.220159D+01
               101           102           103           104           105 
      1  -0.121263D+02 -0.249518D+01 -0.782431D+01 -0.203762D+02 -0.467930D+01
      2   0.185009D+02  0.162347D+01  0.107096D+02  0.309295D+02  0.390140D+01
      3  -0.637454D+01  0.871703D+00 -0.288533D+01 -0.105533D+02  0.777893D+00
      4   0.738315D+01  0.333955D+00  0.762003D+01  0.544288D+01  0.218452D+00
      5   0.239682D+01  0.744507D+00  0.275584D+01  0.200882D+01 -0.683186D+00
      6   0.738511D+01  0.392789D+01  0.374937D+01  0.121128D+02  0.773967D+01
               106           107           108           109           110 
      1   0.123008D+01 -0.145341D+01 -0.134093D+01  0.417900D+01  0.163517D+01
      2  -0.571612D+00  0.130717D+01  0.990517D+00 -0.449222D+01 -0.204428D+01
      3  -0.658465D+00  0.146232D+00  0.350409D+00  0.313228D+00  0.409107D+00
      4  -0.112254D+00 -0.226075D+00  0.248082D+00 -0.120084D+02  0.813450D+01
      5   0.223446D+01  0.144005D+00  0.534382D+00 -0.129420D+02  0.655389D+01
      6  -0.194391D+00  0.450447D+01  0.154962D+01  0.102642D+02 -0.837226D+01
               111           112           113           114           115 
      1   0.347889D+00  0.110957D+01 -0.388153D+01 -0.286040D+01  0.505308D-01
      2   0.401744D+01 -0.198452D+01  0.453129D+01  0.285429D+01  0.433340D+01
      3  -0.436533D+01  0.874954D+00 -0.649761D+00  0.611322D-02 -0.438393D+01
      4   0.878672D+01  0.579125D+01 -0.502337D+01 -0.424831D+01  0.106717D+02
      5   0.129357D+02  0.260674D+01 -0.429551D+01 -0.306490D+01  0.139108D+02
      6  -0.133451D+02 -0.477572D+01  0.697594D+01  0.806610D+01 -0.121662D+02
               116           117           118           119           120 
      1  -0.469669D+01 -0.439153D+01  0.660264D+02 -0.600022D+01 -0.994349D+01
      2   0.272037D+01 -0.436211D+01 -0.326875D+02  0.996589D+00  0.500350D+01
      3   0.197632D+01  0.875364D+01 -0.333390D+02  0.500363D+01  0.493999D+01
      4  -0.702130D+01 -0.105732D+02 -0.169811D+02  0.110558D+02  0.207087D+01
      5  -0.709410D+01 -0.143346D+02 -0.554047D+01  0.342588D-01  0.109392D+02
      6   0.121664D+02  0.163394D+02  0.310646D+01  0.458893D-01 -0.337604D+01
               121           122           123           124           125 
      1   0.360498D+01  0.429913D+01 -0.809970D+00 -0.171215D+02  0.172323D+01
      2  -0.332141D+01 -0.485277D+00  0.145295D+01  0.891619D+01  0.694694D+00
      3  -0.283570D+00 -0.381385D+01 -0.642983D+00  0.820528D+01 -0.241792D+01
      4   0.763831D+01 -0.105695D+01 -0.263373D+01  0.512850D+01 -0.445182D+01
      5  -0.145515D+00 -0.227962D+01  0.480826D+00  0.101505D+02 -0.174698D+01
      6  -0.290962D+00  0.782332D+00  0.128306D+01 -0.261315D+01  0.165756D+01
               126           127           128           129           130 
      1   0.725806D+01 -0.139803D+01 -0.539870D+01 -0.384231D+01 -0.777551D+01
      2  -0.558052D+01  0.271784D+01  0.674074D+01  0.276393D+01  0.632182D+01
      3  -0.167754D+01 -0.131981D+01 -0.134204D+01  0.107839D+01  0.145370D+01
      4  -0.257314D+01  0.174892D+01 -0.323349D+01  0.646560D+00  0.332585D+01
      5  -0.409944D+01 -0.265852D+01 -0.975059D+00 -0.217878D+01 -0.188896D+01
      6   0.645403D+00  0.167384D+01  0.924701D+00  0.239151D+01  0.740287D+00
               131           132           133           134           135 
      1  -0.148355D+02 -0.447923D+01 -0.603528D+01 -0.425558D+01 -0.521134D+01
      2   0.243845D+02  0.703790D+01  0.312123D+01  0.758817D+01  0.329284D+01
      3  -0.954902D+01 -0.255868D+01  0.291405D+01 -0.333259D+01  0.191850D+01
      4  -0.147206D+02 -0.326318D+01  0.259481D+01 -0.647429D+01 -0.356460D+01
      5  -0.512578D+01 -0.664083D+01  0.344161D+00 -0.511051D+01 -0.175861D+01
      6   0.414437D+01  0.638259D+01  0.628378D+00  0.606630D+01  0.325179D+01
               136           137           138           139           140 
      1   0.552749D+01 -0.190985D+01  0.323746D+01 -0.412151D+00 -0.454124D+01
      2  -0.471161D+01  0.139968D+01 -0.228965D+01  0.517820D+00  0.308118D+01
      3  -0.815873D+00  0.510168D+00 -0.947806D+00 -0.105669D+00  0.146007D+01
      4  -0.286484D+01  0.154427D+01 -0.269445D+01  0.261457D+01 -0.479143D+01
      5   0.462146D+01 -0.213747D+01  0.770634D+01 -0.228914D+01  0.509677D+01
      6  -0.170930D+01  0.816490D+00 -0.154990D+01  0.168921D+01 -0.492022D+01
               141           142           143           144           145 
      1   0.220778D+01  0.624099D+01  0.232408D+01 -0.911099D+01  0.326970D+02
      2  -0.103159D+01 -0.565992D+01 -0.414623D+00 -0.131542D+02 -0.223853D+02
      3  -0.117618D+01 -0.581067D+00 -0.190946D+01  0.222652D+02 -0.103117D+02
      4   0.545638D+01 -0.652487D+01  0.890697D+01 -0.885172D+01  0.151038D+02
      5  -0.660454D+01  0.132291D+02 -0.105887D+02  0.356198D+02 -0.328803D+02
      6   0.936396D+01 -0.367728D+01  0.105635D+02 -0.185959D+02 -0.680120D+01
               146           147           148           149           150 
      1   0.292215D+01 -0.901998D+01  0.242059D+01  0.953263D+00 -0.405816D+00
      2  -0.117526D+01  0.127967D+02 -0.917949D+00  0.436215D-01 -0.511322D+00
      3  -0.174688D+01 -0.377675D+01 -0.150264D+01 -0.996885D+00  0.917139D+00
      4   0.945586D+01 -0.760347D+01  0.767803D+01  0.399594D+01 -0.421704D+01
      5  -0.578898D+01  0.227959D+02 -0.354467D+01 -0.429357D+01  0.212696D+01
      6  -0.540451D+01  0.615647D+01 -0.341293D+01 -0.305331D+01  0.469170D+01
               151           152           153           154           155 
      1  -0.560376D+01 -0.530314D+00  0.369857D+01 -0.386865D+01  0.811096D+01
      2   0.858488D+01  0.249504D+00 -0.937163D+01  0.338021D+01 -0.808310D+01
      3  -0.298112D+01  0.280811D+00  0.567306D+01  0.488441D+00 -0.278546D-01
      4  -0.477859D+01 -0.326349D+01  0.397910D+01 -0.119278D+01  0.840466D+00
      5   0.167333D+02  0.270982D+01 -0.139721D+02  0.147423D+01 -0.279405D+01
      6   0.424964D+01  0.410070D+01 -0.371578D+01 -0.452565D+01  0.835088D+01
               156           157           158           159           160 
      1  -0.655476D+01  0.755717D+01 -0.196535D+02  0.833337D+01 -0.357551D+01
      2   0.136189D+01 -0.748991D+01  0.219747D+02 -0.348607D+01  0.892495D+00
      3   0.519286D+01 -0.672599D-01 -0.232115D+01 -0.484730D+01  0.268302D+01
      4  -0.308188D+00  0.282514D+01  0.643063D+01 -0.373577D+01 -0.822171D+00
      5   0.164069D+01 -0.483348D+01  0.498053D+00  0.229277D+01  0.300997D+01
      6  -0.515243D+01  0.541554D+01 -0.192796D+02  0.128027D+02 -0.343383D+01
               161           162           163           164           165 
      1   0.584888D+01 -0.685789D+01 -0.163993D+01 -0.117316D+01 -0.690603D+01
      2  -0.278873D+01  0.184629D+01 -0.196669D+01 -0.216197D+01 -0.189520D+01
      3  -0.306015D+01  0.501160D+01  0.360662D+01  0.333513D+01  0.880123D+01
      4  -0.155169D+01  0.191995D+00  0.195909D+00 -0.958993D+00 -0.136291D+01
      5  -0.154889D+00  0.459543D+00  0.902310D+00  0.163493D+01  0.257617D+01
      6   0.100063D+02 -0.634893D+01  0.184104D+01  0.484835D+01  0.200606D+01
               166           167           168           169           170 
      1  -0.277048D+01 -0.753073D+01 -0.815651D+01 -0.482266D+01 -0.469065D+01
      2  -0.542450D+00  0.162936D+00 -0.601284D+01 -0.635011D+00 -0.438618D+01
      3   0.331293D+01  0.736779D+01  0.141693D+02  0.545767D+01  0.907684D+01
      4  -0.711986D+00 -0.562159D+01 -0.356198D+01 -0.156396D+01 -0.341321D+01
      5   0.372088D+01  0.194839D-01 -0.430314D+01  0.462208D+01 -0.322211D+00
      6   0.368622D+01  0.100305D+02  0.788162D+01  0.214399D+01  0.790910D+01
               171 
      1  -0.981852D+01
      2  -0.771788D+01
      3   0.175364D+02
      4  -0.268385D+01
      5  -0.236156D+01
      6   0.613458D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Aug 16 21:41:12 2021, MaxMem=  5637144576 cpu:            9294.2 elap:            1165.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.97442 -18.92123 -14.19047 -10.18582 -10.11704
 Alpha  occ. eigenvalues --  -10.08880 -10.05716 -10.05054  -1.20622  -1.12204
 Alpha  occ. eigenvalues --   -1.03979  -0.93274  -0.82666  -0.81196  -0.72502
 Alpha  occ. eigenvalues --   -0.70787  -0.63902  -0.62691  -0.61209  -0.58677
 Alpha  occ. eigenvalues --   -0.55266  -0.54534  -0.53239  -0.51081  -0.49371
 Alpha  occ. eigenvalues --   -0.48024  -0.45555  -0.44881  -0.44548  -0.41852
 Alpha  occ. eigenvalues --   -0.40267  -0.36404
 Alpha virt. eigenvalues --    0.01914   0.03501   0.03889   0.04675   0.05906
 Alpha virt. eigenvalues --    0.06021   0.06714   0.07326   0.08276   0.08595
 Alpha virt. eigenvalues --    0.08807   0.09342   0.10634   0.11407   0.12196
 Alpha virt. eigenvalues --    0.13059   0.13788   0.14043   0.14371   0.14743
 Alpha virt. eigenvalues --    0.15643   0.16031   0.17146   0.17547   0.17921
 Alpha virt. eigenvalues --    0.18262   0.18707   0.19311   0.20207   0.20268
 Alpha virt. eigenvalues --    0.20891   0.21507   0.21648   0.22567   0.24250
 Alpha virt. eigenvalues --    0.25052   0.25588   0.26633   0.26912   0.27220
 Alpha virt. eigenvalues --    0.28983   0.29347   0.29827   0.30543   0.31122
 Alpha virt. eigenvalues --    0.31515   0.33021   0.33274   0.34065   0.34739
 Alpha virt. eigenvalues --    0.35218   0.35791   0.36249   0.36958   0.37694
 Alpha virt. eigenvalues --    0.38694   0.40365   0.40588   0.42362   0.43108
 Alpha virt. eigenvalues --    0.43196   0.43811   0.44572   0.44788   0.45211
 Alpha virt. eigenvalues --    0.46073   0.46813   0.47368   0.48097   0.48932
 Alpha virt. eigenvalues --    0.49442   0.50321   0.50999   0.51930   0.52614
 Alpha virt. eigenvalues --    0.53955   0.54873   0.55735   0.56143   0.56682
 Alpha virt. eigenvalues --    0.57580   0.58193   0.58894   0.59753   0.60506
 Alpha virt. eigenvalues --    0.60981   0.62761   0.63662   0.64108   0.64331
 Alpha virt. eigenvalues --    0.65718   0.66926   0.67996   0.68301   0.69909
 Alpha virt. eigenvalues --    0.70791   0.71319   0.72016   0.72770   0.73573
 Alpha virt. eigenvalues --    0.74427   0.74628   0.75787   0.76764   0.76839
 Alpha virt. eigenvalues --    0.78077   0.78405   0.80574   0.80975   0.81179
 Alpha virt. eigenvalues --    0.82585   0.83716   0.84616   0.85256   0.86527
 Alpha virt. eigenvalues --    0.88207   0.89216   0.90658   0.90740   0.92623
 Alpha virt. eigenvalues --    0.94133   0.94643   0.95321   0.97491   0.98571
 Alpha virt. eigenvalues --    1.02661   1.03997   1.04663   1.05404   1.07448
 Alpha virt. eigenvalues --    1.08096   1.09763   1.12020   1.13142   1.14024
 Alpha virt. eigenvalues --    1.14405   1.17771   1.19021   1.21547   1.22302
 Alpha virt. eigenvalues --    1.24503   1.24788   1.25335   1.27673   1.29536
 Alpha virt. eigenvalues --    1.31460   1.33727   1.33852   1.35728   1.37679
 Alpha virt. eigenvalues --    1.38285   1.42081   1.45506   1.46530   1.49549
 Alpha virt. eigenvalues --    1.50602   1.53264   1.53809   1.57276   1.58521
 Alpha virt. eigenvalues --    1.60522   1.61648   1.62917   1.65653   1.67558
 Alpha virt. eigenvalues --    1.69913   1.72996   1.74301   1.75290   1.78667
 Alpha virt. eigenvalues --    1.80232   1.81471   1.82649   1.82976   1.85036
 Alpha virt. eigenvalues --    1.86280   1.87530   1.89010   1.89724   1.92150
 Alpha virt. eigenvalues --    1.92850   1.95263   1.97522   1.98270   1.99765
 Alpha virt. eigenvalues --    2.01278   2.03145   2.04373   2.05955   2.09671
 Alpha virt. eigenvalues --    2.11854   2.12901   2.13197   2.16164   2.17413
 Alpha virt. eigenvalues --    2.17864   2.20643   2.21759   2.23617   2.25974
 Alpha virt. eigenvalues --    2.26453   2.28087   2.29224   2.31521   2.32877
 Alpha virt. eigenvalues --    2.35670   2.36361   2.38818   2.40205   2.41366
 Alpha virt. eigenvalues --    2.44414   2.45622   2.46627   2.49334   2.54243
 Alpha virt. eigenvalues --    2.56141   2.58424   2.59156   2.61880   2.63335
 Alpha virt. eigenvalues --    2.66883   2.70037   2.71026   2.73013   2.74848
 Alpha virt. eigenvalues --    2.76265   2.79092   2.83705   2.84619   2.92988
 Alpha virt. eigenvalues --    2.93438   2.96994   2.99939   3.09344   3.15263
 Alpha virt. eigenvalues --    3.20354   3.23224   3.33836   3.40613   3.46222
 Alpha virt. eigenvalues --    3.49909   3.51656   3.55350   3.55666   3.57557
 Alpha virt. eigenvalues --    3.58730   3.65026   3.72599   3.87647   3.93586
 Alpha virt. eigenvalues --    4.12534
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.728473  -0.019112  -0.306182   0.000530   0.002848  -0.230099
     2  C   -0.019112   7.714096   0.702808  -0.888771   0.061984  -0.107834
     3  C   -0.306182   0.702808   8.858896  -1.852715   0.177456  -0.440812
     4  C    0.000530  -0.888771  -1.852715   7.484919  -0.346816   0.191415
     5  O    0.002848   0.061984   0.177456  -0.346816   8.466707  -0.003027
     6  C   -0.230099  -0.107834  -0.440812   0.191415  -0.003027   4.917608
     7  N    0.013301   0.011244  -0.458905   0.289719  -0.093855   0.031863
     8  O    0.028271   0.022297   0.084277   0.057737  -0.065450  -0.019691
     9  H    0.118083  -0.081550  -0.953616   0.062646   0.014811   0.038735
    10  H    0.010477  -1.095814   0.019184   0.181464   0.002098   0.036803
    11  H   -0.009701  -0.036798  -0.181529   0.040610   0.166765   0.009816
    12  H   -0.024819  -0.036145  -0.115928  -0.007584   0.012808   0.023083
    13  H   -0.007938  -0.018925   0.231313  -0.063956  -0.008152  -0.011773
    14  H   -0.033229   0.361613   0.107834  -0.057796  -0.002582   0.001114
    15  H   -0.134235  -0.173230  -0.093894   0.124608  -0.010331   0.458979
    16  H    0.047156   0.069258  -0.253014   0.035411   0.009228   0.214359
    17  H    0.187521  -0.000839   0.024387  -0.012866  -0.003404   0.116193
    18  H   -0.071566   0.336891  -0.200683   0.052306   0.002199  -0.078267
    19  H    0.413433  -0.114155  -0.046257   0.014081   0.027446  -0.102014
               7          8          9         10         11         12
     1  C    0.013301   0.028271   0.118083   0.010477  -0.009701  -0.024819
     2  C    0.011244   0.022297  -0.081550  -1.095814  -0.036798  -0.036145
     3  C   -0.458905   0.084277  -0.953616   0.019184  -0.181529  -0.115928
     4  C    0.289719   0.057737   0.062646   0.181464   0.040610  -0.007584
     5  O   -0.093855  -0.065450   0.014811   0.002098   0.166765   0.012808
     6  C    0.031863  -0.019691   0.038735   0.036803   0.009816   0.023083
     7  N    6.787486  -0.028539  -0.051933  -0.019861   0.083372   0.234694
     8  O   -0.028539   8.368022   0.035650   0.003507   0.010194   0.002287
     9  H   -0.051933   0.035650   2.297414   0.011619   0.027677   0.056578
    10  H   -0.019861   0.003507   0.011619   2.514238   0.004569  -0.012370
    11  H    0.083372   0.010194   0.027677   0.004569   0.668586   0.001220
    12  H    0.234694   0.002287   0.056578  -0.012370   0.001220   0.972791
    13  H    0.290786   0.001247  -0.125225   0.016258  -0.014060  -0.143138
    14  H   -0.021208  -0.001584   0.020383  -0.072463  -0.001203  -0.001987
    15  H    0.025108  -0.017056  -0.025803   0.109197   0.001575  -0.001378
    16  H    0.029200   0.018429   0.037456  -0.099121   0.001828   0.007501
    17  H   -0.006851   0.005183   0.003624  -0.094217   0.002227   0.004321
    18  H    0.048036  -0.008157   0.014952  -0.040503  -0.002192  -0.004476
    19  H    0.001126   0.005804   0.015231   0.079432  -0.006366  -0.002063
              13         14         15         16         17         18
     1  C   -0.007938  -0.033229  -0.134235   0.047156   0.187521  -0.071566
     2  C   -0.018925   0.361613  -0.173230   0.069258  -0.000839   0.336891
     3  C    0.231313   0.107834  -0.093894  -0.253014   0.024387  -0.200683
     4  C   -0.063956  -0.057796   0.124608   0.035411  -0.012866   0.052306
     5  O   -0.008152  -0.002582  -0.010331   0.009228  -0.003404   0.002199
     6  C   -0.011773   0.001114   0.458979   0.214359   0.116193  -0.078267
     7  N    0.290786  -0.021208   0.025108   0.029200  -0.006851   0.048036
     8  O    0.001247  -0.001584  -0.017056   0.018429   0.005183  -0.008157
     9  H   -0.125225   0.020383  -0.025803   0.037456   0.003624   0.014952
    10  H    0.016258  -0.072463   0.109197  -0.099121  -0.094217  -0.040503
    11  H   -0.014060  -0.001203   0.001575   0.001828   0.002227  -0.002192
    12  H   -0.143138  -0.001987  -0.001378   0.007501   0.004321  -0.004476
    13  H    0.889184  -0.000817   0.001910  -0.004141  -0.001432  -0.003004
    14  H   -0.000817   1.624901  -0.384442  -0.375658  -0.012750   0.017980
    15  H    0.001910  -0.384442   1.500959  -0.258076  -0.013654  -0.002836
    16  H   -0.004141  -0.375658  -0.258076   1.691651   0.033707  -0.018625
    17  H   -0.001432  -0.012750  -0.013654   0.033707   1.875260  -0.523683
    18  H   -0.003004   0.017980  -0.002836  -0.018625  -0.523683   2.027074
    19  H    0.000341  -0.019326   0.010869  -0.002628  -0.370875  -0.274250
              19
     1  C    0.413433
     2  C   -0.114155
     3  C   -0.046257
     4  C    0.014081
     5  O    0.027446
     6  C   -0.102014
     7  N    0.001126
     8  O    0.005804
     9  H    0.015231
    10  H    0.079432
    11  H   -0.006366
    12  H   -0.002063
    13  H    0.000341
    14  H   -0.019326
    15  H    0.010869
    16  H   -0.002628
    17  H   -0.370875
    18  H   -0.274250
    19  H    1.452268
 Mulliken charges:
               1
     1  C    1.286790
     2  C   -0.707019
     3  C    0.697379
     4  C    0.695058
     5  O   -0.410735
     6  C    0.953548
     7  N   -0.164781
     8  O   -0.502428
     9  H   -0.516733
    10  H   -0.554497
    11  H    0.233411
    12  H    0.034606
    13  H   -0.028477
    14  H   -0.148783
    15  H   -0.118271
    16  H   -0.183922
    17  H   -0.211852
    18  H   -0.271197
    19  H   -0.082097
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.721644
     2  C   -1.261516
     3  C    0.180646
     4  C    0.695058
     5  O   -0.177324
     6  C    0.502572
     7  N   -0.158652
     8  O   -0.502428
 Electronic spatial extent (au):  <R**2>=            985.9062
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.9821    Y=             -4.5224    Z=             -1.8633  Tot=              5.2776
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -51.5059   YY=            -52.8945   ZZ=            -47.9316
   XY=             -4.5536   XZ=             -3.2688   YZ=              2.2463
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.7286   YY=             -2.1172   ZZ=              2.8458
   XY=             -4.5536   XZ=             -3.2688   YZ=              2.2463
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              3.5215  YYY=            -21.8035  ZZZ=             -6.2266  XYY=             -1.5962
  XXY=             -7.9744  XXZ=             -5.3630  XZZ=              5.3151  YZZ=             -3.6027
  YYZ=             -3.6834  XYZ=              1.2064
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -631.4799 YYYY=           -410.2728 ZZZZ=           -247.4229 XXXY=            -10.0448
 XXXZ=            -15.0107 YYYX=            -10.4250 YYYZ=             19.9623 ZZZX=             -3.0164
 ZZZY=              7.1872 XXYY=           -176.1769 XXZZ=           -143.9193 YYZZ=           -102.9238
 XXYZ=              1.2762 YYXZ=             -1.7158 ZZXY=             -7.6702
 N-N= 4.132608280726D+02 E-N=-1.764695916472D+03  KE= 3.991121675542D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Aug 16 21:41:12 2021, MaxMem=  5637144576 cpu:               1.5 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-7.42875624D-01-1.76742091D+00-7.18479099D-01
 Polarizability= 7.60944835D+01-2.69602986D+00 7.76509700D+01
                 1.43288919D+00-1.41107153D+00 6.81616490D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.0186   -1.0185       -1.3767   -1.3772
 2      1.0186    1.0185        0.6758    0.6756        0.9773    0.9774
 3      1.3767    1.3772        3.8900    3.8893       -0.6752   -0.6756
 4     -0.6758   -0.6756       -0.0000    0.0000        1.3769    1.3772
 5     -4.8673   -4.8667       -1.3769   -1.3772       -1.0188   -1.0185
 6      0.6752    0.6756        1.0188    1.0185        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        3.0555    3.0555       -4.1316   -4.1316
 2     -2.0269   -2.0269       -0.0000    0.0000       -4.1316   -4.1316
 3     -2.0269   -2.0269        3.0555    3.0555        0.0000    0.0000
 4      3.0555    3.0555        2.0269    2.0269        2.9322    2.9322
 5      4.1316    4.1316       11.6679   11.6679       -2.0269   -2.0269
 6    -14.6001  -14.6001       -4.1316   -4.1316       -3.0555   -3.0555
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0420    0.0000        4.0348    4.0739        5.6483    5.5088
 2     -4.0556   -4.0739       -2.7326   -2.7025       -3.8597   -3.9096
 3     -5.5419   -5.5088      -15.5441  -15.5571        2.6755    2.7025
 4      2.7008    2.7025        0.0010    0.0000       -5.4945   -5.5088
 5     19.4605   19.4668        5.5253    5.5088        4.0752    4.0739
 6     -2.6915   -2.7025       -4.0850   -4.0739        0.0076    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0002    0.0000       -2.0813   -2.0754      -12.6775  -12.6685
 2      1.9783    2.0754      -13.7896  -13.8921       -7.8795   -7.6798
 3     12.6455   12.6685        3.1147    3.1012       13.9329   13.8921
 4     13.8730   13.8921        0.0431    0.0000       12.6432   12.6685
 5      4.6650    4.5787      -12.6869  -12.6685       -1.9847   -2.0754
 6    -13.8745  -13.8921        2.0752    2.0754        0.0314    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      8.7866    8.7632      -10.2755  -10.2802       28.0539   27.9625
 2     27.2549   27.2488      -15.2143  -15.1977       28.0135   27.9625
 3     27.2352   27.2488      -10.2722  -10.2802       37.4858   37.4677
 4      4.8581    4.9176      -18.3913  -18.4857       -7.2579   -7.0830
 5      9.5044    9.5052       10.2637   10.2837       18.5546   18.4857
 6     -3.1015   -3.2008       -9.4968   -9.5052       -4.8058   -4.9176
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.4651   -2.9788    0.0009    0.0011    0.0012   13.4907
 Low frequencies ---   65.1584  100.3754  185.6660
 Diagonal vibrational polarizability:
       18.3332205      12.2401217      17.5770428
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     65.1563               100.3671               185.6656
 Red. masses --      4.0782                 3.1778                 4.3754
 Frc consts  --      0.0102                 0.0189                 0.0889
 IR Inten    --      1.4837                 1.1040                 4.3311
 RamAct Fr= 1--      0.9094                 0.5462                 0.7672
  Dep-P Fr= 1--      0.7499                 0.7491                 0.5236
  Dep-U Fr= 1--      0.8571                 0.8566                 0.6873
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0034
 Beta2  Fr= 1--      0.1299                 0.0780                 0.0879
 AlphaG Fr= 1--      0.0000                -0.0001                 0.0005
 Gamma2 Fr= 1--     -0.2854                 0.2479                 0.1318
 Delta2 Fr= 1--     -0.2514                 0.1869                 0.0773
 Raman1 Fr= 1--       3.637                  2.185                  3.069
 ROA1   Fr= 1--     -35.438                 29.776                 15.131
 CID1   Fr= 1--      -9.743                 13.628                  4.930
 Raman2 Fr= 1--       1.559                  0.936                  1.055
 ROA2   Fr= 1--      -4.838                  4.454                  2.546
 CID2   Fr= 1--      -3.103                  4.760                  2.414
 Raman3 Fr= 1--       3.118                  1.872                  2.109
 ROA3   Fr= 1--     -35.438                 29.776                 15.131
 CID3   Fr= 1--     -11.367                 15.910                  7.174
 RC180  Fr= 1--       0.714                  0.713                  0.375
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.22   0.06    -0.14  -0.12  -0.08    -0.21  -0.08   0.01
     2   6    -0.00   0.00   0.01    -0.03   0.02  -0.05    -0.07  -0.03   0.03
     3   6     0.00   0.00   0.01     0.01  -0.04   0.05    -0.04   0.09   0.10
     4   6     0.01  -0.03   0.06     0.01   0.01  -0.00     0.10   0.05   0.03
     5   8     0.16  -0.08  -0.14     0.18   0.07  -0.15     0.15  -0.02  -0.07
     6   6    -0.07  -0.08  -0.18     0.08   0.10   0.04    -0.20  -0.13  -0.03
     7   7    -0.00  -0.01  -0.05     0.00  -0.05   0.15    -0.03   0.09   0.03
     8   8    -0.12  -0.02   0.25    -0.12   0.01   0.04     0.27   0.05  -0.06
     9   1     0.02   0.03   0.02     0.07  -0.12   0.02    -0.05   0.12   0.11
    10   1     0.05  -0.10   0.13    -0.05   0.11  -0.16     0.06  -0.07  -0.04
    11   1     0.17  -0.07  -0.23     0.20   0.06  -0.14     0.03  -0.01  -0.00
    12   1    -0.01  -0.00   0.10    -0.01  -0.04   0.44    -0.02   0.08  -0.12
    13   1    -0.13  -0.04  -0.14    -0.17  -0.20   0.05     0.05   0.17   0.08
    14   1    -0.05  -0.06  -0.13     0.02   0.08  -0.13    -0.19  -0.20  -0.00
    15   1    -0.09   0.02  -0.35     0.05   0.01   0.23    -0.28  -0.05  -0.09
    16   1    -0.13  -0.28  -0.22     0.24   0.27   0.06    -0.25  -0.20  -0.05
    17   1     0.04   0.18   0.08    -0.17  -0.03  -0.13    -0.23  -0.30  -0.13
    18   1     0.11   0.30   0.19    -0.26  -0.21  -0.13    -0.06   0.01   0.05
    19   1    -0.05   0.35  -0.07    -0.06  -0.24   0.02    -0.44  -0.02   0.11
                      4                      5                      6
                      A                      A                      A
 Frequencies --    229.7088               253.1510               260.3132
 Red. masses --      1.0680                 1.2691                 1.4055
 Frc consts  --      0.0332                 0.0479                 0.0561
 IR Inten    --      0.2579                 4.1690                 6.3164
 RamAct Fr= 1--      0.0139                 0.1387                 0.1935
  Dep-P Fr= 1--      0.5202                 0.4331                 0.5691
  Dep-U Fr= 1--      0.6844                 0.6044                 0.7254
 Alpha2 Fr= 1--      0.0001                 0.0009                 0.0007
 Beta2  Fr= 1--      0.0016                 0.0140                 0.0234
 AlphaG Fr= 1--     -0.0010                -0.0033                -0.0015
 Gamma2 Fr= 1--      0.0003                -0.0881                -0.1443
 Delta2 Fr= 1--     -0.0077                -0.0375                -0.0082
 Raman1 Fr= 1--       0.056                  0.555                  0.774
 ROA1   Fr= 1--      -0.218                 -9.661                -14.115
 CID1   Fr= 1--      -3.927                -17.417                -18.237
 Raman2 Fr= 1--       0.019                  0.168                  0.281
 ROA2   Fr= 1--       0.069                 -1.816                 -3.397
 CID2   Fr= 1--       3.632                -10.831                -12.101
 Raman3 Fr= 1--       0.038                  0.335                  0.561
 ROA3   Fr= 1--      -0.218                 -9.661                -14.115
 CID3   Fr= 1--      -5.738                -28.816                -25.141
 RC180  Fr= 1--       0.369                  0.209                  0.451
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.04  -0.03     0.08   0.01  -0.05     0.09  -0.03  -0.05
     2   6    -0.00   0.01  -0.02     0.02   0.03  -0.04    -0.00   0.01  -0.04
     3   6     0.00  -0.00  -0.00     0.02   0.01  -0.03     0.00   0.03  -0.02
     4   6    -0.00   0.00   0.00     0.01   0.00  -0.00     0.01   0.03   0.01
     5   8    -0.01   0.01   0.00    -0.02  -0.02   0.02    -0.02  -0.02   0.01
     6   6     0.03   0.03   0.01    -0.06  -0.00   0.02    -0.08  -0.03  -0.02
     7   7    -0.01  -0.01   0.03    -0.04  -0.02   0.04    -0.03   0.01   0.06
     8   8    -0.01   0.01   0.01     0.02   0.01   0.01     0.05   0.03   0.03
     9   1     0.02  -0.02  -0.01     0.06  -0.03  -0.04     0.05  -0.01  -0.03
    10   1    -0.01   0.02  -0.03     0.03   0.02  -0.05     0.02  -0.00  -0.04
    11   1     0.01   0.01  -0.02    -0.01  -0.01  -0.05    -0.02  -0.01  -0.07
    12   1    -0.01  -0.00   0.13    -0.09   0.02   0.33    -0.06   0.03   0.40
    13   1    -0.07  -0.06  -0.01    -0.22  -0.19  -0.06    -0.24  -0.18  -0.07
    14   1     0.17   0.24   0.44    -0.12  -0.18  -0.18    -0.03  -0.05   0.13
    15   1     0.32   0.08  -0.39    -0.24  -0.04   0.27    -0.06   0.02  -0.14
    16   1    -0.39  -0.22  -0.02     0.12   0.18   0.05    -0.24  -0.12  -0.03
    17   1     0.01  -0.31  -0.08     0.12  -0.39  -0.07     0.10   0.35   0.10
    18   1     0.22   0.09  -0.03     0.43   0.22  -0.03    -0.24  -0.25  -0.16
    19   1    -0.23   0.06   0.02    -0.24   0.19  -0.04     0.48  -0.23  -0.09
                      7                      8                      9
                      A                      A                      A
 Frequencies --    282.6595               338.2040               352.9728
 Red. masses --      1.5344                 3.8020                 2.4962
 Frc consts  --      0.0722                 0.2562                 0.1832
 IR Inten    --     13.4650                12.7816                 1.3585
 RamAct Fr= 1--      0.1205                 0.5612                 1.0878
  Dep-P Fr= 1--      0.7118                 0.3093                 0.5930
  Dep-U Fr= 1--      0.8316                 0.4725                 0.7445
 Alpha2 Fr= 1--      0.0001                 0.0056                 0.0032
 Beta2  Fr= 1--      0.0167                 0.0442                 0.1350
 AlphaG Fr= 1--      0.0025                 0.0006                -0.0008
 Gamma2 Fr= 1--      0.1123                 0.1683                -0.2098
 Delta2 Fr= 1--      0.1302                 0.2119                 0.0181
 Raman1 Fr= 1--       0.482                  2.245                  4.351
 ROA1   Fr= 1--      14.949                 22.937                -19.560
 CID1   Fr= 1--      31.023                 10.219                 -4.495
 Raman2 Fr= 1--       0.200                  0.530                  1.620
 ROA2   Fr= 1--       1.654                  2.344                 -5.180
 CID2   Fr= 1--       8.255                  4.420                 -3.198
 Raman3 Fr= 1--       0.401                  1.061                  3.240
 ROA3   Fr= 1--      14.949                 22.937                -19.560
 CID3   Fr= 1--      37.304                 21.627                 -6.038
 RC180  Fr= 1--       0.663                 -0.055                  0.489
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.01   0.06    -0.04   0.05   0.00    -0.08   0.14  -0.08
     2   6     0.01  -0.03   0.04    -0.03  -0.04  -0.02     0.01   0.03  -0.09
     3   6     0.01  -0.01   0.02    -0.04   0.01  -0.05     0.08  -0.03  -0.04
     4   6     0.01   0.01   0.00    -0.05   0.03  -0.07     0.04  -0.06   0.00
     5   8    -0.04   0.01   0.04    -0.16  -0.19  -0.15     0.06   0.02   0.06
     6   6     0.04  -0.01   0.00     0.02   0.01   0.06    -0.14   0.01   0.17
     7   7     0.08   0.02  -0.12     0.22   0.11   0.16     0.09  -0.04  -0.03
     8   8     0.02   0.01  -0.03     0.05   0.05   0.05    -0.04  -0.07  -0.03
     9   1    -0.05   0.02   0.04    -0.07  -0.15  -0.10     0.15  -0.02  -0.04
    10   1     0.02  -0.03   0.04    -0.06  -0.04   0.01     0.02   0.04  -0.11
    11   1     0.11   0.01  -0.17    -0.32  -0.17  -0.37     0.12   0.01   0.09
    12   1     0.10  -0.02   0.57     0.40  -0.06   0.25     0.11  -0.06  -0.05
    13   1    -0.45  -0.16  -0.51     0.30   0.15   0.21     0.10  -0.02  -0.02
    14   1     0.03   0.02  -0.03     0.03   0.03   0.08    -0.02  -0.18   0.43
    15   1     0.05  -0.02   0.01     0.08  -0.06   0.13    -0.12  -0.02   0.20
    16   1     0.09  -0.02  -0.00     0.01   0.11   0.08    -0.45   0.17   0.22
    17   1    -0.13   0.04  -0.03    -0.05   0.07  -0.02    -0.12   0.29  -0.14
    18   1    -0.13   0.01   0.14    -0.03   0.09   0.11    -0.18   0.12   0.08
    19   1    -0.12   0.02   0.07    -0.08   0.12  -0.06    -0.05   0.17  -0.16
                     10                     11                     12
                      A                      A                      A
 Frequencies --    431.8771               468.6452               542.9599
 Red. masses --      3.2835                 2.8717                 4.8056
 Frc consts  --      0.3608                 0.3716                 0.8347
 IR Inten    --      0.8990                 1.7200                 3.0389
 RamAct Fr= 1--      1.1991                 0.3431                 5.6335
  Dep-P Fr= 1--      0.7090                 0.5739                 0.0568
  Dep-U Fr= 1--      0.8297                 0.7293                 0.1076
 Alpha2 Fr= 1--      0.0009                 0.0011                 0.1095
 Beta2  Fr= 1--      0.1658                 0.0417                 0.1010
 AlphaG Fr= 1--      0.0003                -0.0007                -0.0093
 Gamma2 Fr= 1--      0.1935                -0.1850                 0.5696
 Delta2 Fr= 1--     -0.2730                 0.0074                 0.1791
 Raman1 Fr= 1--       4.797                  1.373                 22.534
 ROA1   Fr= 1--       9.839                -17.525                 60.409
 CID1   Fr= 1--       2.051                -12.769                  2.681
 Raman2 Fr= 1--       1.990                  0.500                  1.212
 ROA2   Fr= 1--       6.828                 -4.500                 12.237
 CID2   Fr= 1--       3.431                 -8.992                 10.097
 Raman3 Fr= 1--       3.980                  1.001                  2.424
 ROA3   Fr= 1--       9.839                -17.525                 60.409
 CID3   Fr= 1--       2.472                -17.508                 24.922
 RC180  Fr= 1--       0.659                  0.459                 -0.785
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.05  -0.01    -0.05  -0.06   0.09     0.01   0.03  -0.07
     2   6    -0.13   0.10   0.03     0.18   0.19   0.11     0.09  -0.06  -0.05
     3   6    -0.07  -0.01   0.11     0.13   0.06  -0.05     0.02   0.19   0.09
     4   6    -0.03  -0.10   0.08     0.08  -0.02  -0.10    -0.02  -0.06   0.13
     5   8     0.06  -0.04   0.04    -0.05  -0.08  -0.01     0.06  -0.14   0.01
     6   6    -0.12   0.15  -0.09    -0.07   0.03  -0.03     0.13  -0.13   0.03
     7   7     0.17   0.08  -0.00     0.01   0.00   0.02    -0.12   0.26   0.06
     8   8    -0.04  -0.13  -0.10    -0.11  -0.03  -0.02    -0.15  -0.10  -0.18
     9   1    -0.00   0.04   0.12     0.04  -0.01  -0.07     0.11   0.37   0.14
    10   1    -0.16   0.13   0.02     0.21   0.17   0.10     0.22  -0.10  -0.13
    11   1     0.14  -0.04  -0.03    -0.10  -0.07  -0.09    -0.11  -0.12  -0.09
    12   1     0.34  -0.09   0.12    -0.07   0.07  -0.02    -0.16   0.30   0.19
    13   1     0.02   0.26  -0.16     0.06  -0.09   0.08    -0.14   0.13   0.08
    14   1    -0.16   0.17  -0.17    -0.05  -0.21  -0.05     0.15  -0.08   0.09
    15   1    -0.17   0.20  -0.13    -0.33   0.25  -0.17     0.21  -0.19   0.06
    16   1    -0.04   0.05  -0.11    -0.13  -0.19  -0.07     0.10  -0.05   0.05
    17   1     0.19  -0.21   0.22    -0.15  -0.13  -0.20    -0.02   0.15  -0.13
    18   1     0.23  -0.04  -0.29    -0.16  -0.16  -0.03    -0.05   0.04   0.12
    19   1     0.17  -0.11   0.02    -0.15  -0.24   0.43    -0.00   0.10  -0.15
                     13                     14                     15
                      A                      A                      A
 Frequencies --    657.7769               742.1711               804.2921
 Red. masses --      4.7487                 4.4488                 2.4578
 Frc consts  --      1.2105                 1.4438                 0.9367
 IR Inten    --      8.8674                10.0187                30.6583
 RamAct Fr= 1--      1.4773                 7.2933                 5.9727
  Dep-P Fr= 1--      0.7498                 0.0334                 0.0635
  Dep-U Fr= 1--      0.8570                 0.0647                 0.1194
 Alpha2 Fr= 1--      0.0000                 0.1498                 0.1142
 Beta2  Fr= 1--      0.2110                 0.0786                 0.1189
 AlphaG Fr= 1--     -0.0000                -0.0133                -0.0894
 Gamma2 Fr= 1--     -1.0438                -1.2018                 0.1029
 Delta2 Fr= 1--      0.0070                -0.0945                -0.0133
 Raman1 Fr= 1--       5.909                 29.173                 23.891
 ROA1   Fr= 1--     -99.979               -118.394                  9.450
 CID1   Fr= 1--     -16.919                 -4.058                  0.396
 Raman2 Fr= 1--       2.532                  0.944                  1.427
 ROA2   Fr= 1--     -25.107                -28.086                  2.576
 CID2   Fr= 1--      -9.915                -29.765                  1.806
 Raman3 Fr= 1--       5.064                  1.887                  2.853
 ROA3   Fr= 1--     -99.979               -118.394                  9.450
 CID3   Fr= 1--     -19.742                -62.735                  3.312
 RC180  Fr= 1--       0.714                 -0.871                 -0.761
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02  -0.06    -0.04  -0.04   0.08     0.01  -0.04   0.14
     2   6     0.07   0.04  -0.02    -0.19  -0.11  -0.02    -0.00  -0.04  -0.06
     3   6     0.09  -0.03   0.27     0.09   0.04  -0.03     0.06  -0.00  -0.17
     4   6    -0.10   0.16   0.22     0.30   0.13  -0.10    -0.13   0.02   0.18
     5   8    -0.04  -0.12  -0.09     0.06  -0.15   0.13     0.06  -0.01  -0.03
     6   6    -0.01   0.02   0.00    -0.07   0.04  -0.02    -0.05   0.07  -0.03
     7   7     0.04  -0.23  -0.05    -0.00  -0.04  -0.01    -0.02   0.00  -0.07
     8   8    -0.03   0.17  -0.12    -0.15   0.13  -0.05     0.02   0.02  -0.05
     9   1     0.27   0.03   0.28     0.02  -0.03  -0.05     0.28   0.16  -0.13
    10   1     0.07   0.07  -0.07    -0.07  -0.14  -0.09    -0.08  -0.04   0.04
    11   1    -0.26  -0.09  -0.31    -0.17  -0.10  -0.19    -0.28  -0.01   0.21
    12   1    -0.14  -0.06  -0.43    -0.08   0.04  -0.07     0.09  -0.09   0.36
    13   1    -0.13   0.03  -0.25     0.08  -0.14   0.07     0.34  -0.36   0.31
    14   1     0.03  -0.14   0.07    -0.12   0.41  -0.05    -0.04   0.10  -0.02
    15   1    -0.11   0.08  -0.01     0.23  -0.15   0.03    -0.01   0.03   0.01
    16   1    -0.11   0.01   0.01     0.07   0.15  -0.01    -0.05   0.13  -0.01
    17   1     0.03   0.02  -0.04     0.08  -0.02   0.42    -0.03  -0.00   0.06
    18   1     0.03   0.02  -0.09     0.11   0.05   0.09    -0.04  -0.05   0.26
    19   1     0.04   0.01  -0.05     0.10   0.08  -0.21    -0.05  -0.02   0.16
                     16                     17                     18
                      A                      A                      A
 Frequencies --    844.1253               867.5843               920.4063
 Red. masses --      2.0377                 1.1752                 1.8060
 Frc consts  --      0.8555                 0.5212                 0.9014
 IR Inten    --     15.7014                73.4120                74.4035
 RamAct Fr= 1--      1.9245                 1.0914                 0.7364
  Dep-P Fr= 1--      0.7495                 0.1492                 0.1983
  Dep-U Fr= 1--      0.8568                 0.2597                 0.3310
 Alpha2 Fr= 1--      0.0000                 0.0169                 0.0100
 Beta2  Fr= 1--      0.2748                 0.0472                 0.0406
 AlphaG Fr= 1--      0.0001                 0.0782                -0.0193
 Gamma2 Fr= 1--      0.7411                 0.1030                -0.0965
 Delta2 Fr= 1--      0.2312                 0.1224                 0.0524
 Raman1 Fr= 1--       7.698                  4.366                  2.946
 ROA1   Fr= 1--      78.540                 13.805                 -7.591
 CID1   Fr= 1--      10.203                  3.162                 -2.577
 Raman2 Fr= 1--       3.298                  0.567                  0.487
 ROA2   Fr= 1--      15.936                  1.494                 -2.735
 CID2   Fr= 1--       4.832                  2.635                 -5.612
 Raman3 Fr= 1--       6.596                  1.134                  0.975
 ROA3   Fr= 1--      78.540                 13.805                 -7.591
 CID3   Fr= 1--      11.907                 12.177                 -7.786
 RC180  Fr= 1--       0.714                 -0.481                 -0.338
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.05   0.10    -0.01   0.00  -0.02    -0.02  -0.05   0.01
     2   6    -0.03  -0.05  -0.05    -0.01   0.00   0.01     0.03  -0.03  -0.01
     3   6     0.13   0.10   0.01     0.03   0.00   0.06     0.07  -0.03   0.15
     4   6    -0.05  -0.07  -0.02     0.03  -0.01  -0.05     0.04  -0.03  -0.05
     5   8    -0.07   0.05  -0.07     0.00   0.01  -0.05    -0.08   0.04  -0.04
     6   6    -0.05   0.04  -0.03    -0.00  -0.00   0.00    -0.01   0.06  -0.01
     7   7     0.06  -0.01   0.07     0.03   0.01  -0.03    -0.08   0.03  -0.08
     8   8     0.03  -0.07   0.02    -0.01  -0.01   0.02     0.01  -0.03   0.02
     9   1     0.25   0.10   0.01    -0.02   0.03   0.08    -0.01   0.10   0.19
    10   1     0.13  -0.09  -0.14     0.04   0.01  -0.04     0.13   0.09  -0.28
    11   1     0.18   0.03  -0.02    -0.64  -0.01   0.72     0.14   0.04  -0.23
    12   1    -0.37   0.38  -0.36    -0.00   0.03   0.13     0.20  -0.21   0.31
    13   1    -0.31  -0.03  -0.25    -0.09  -0.03  -0.11     0.37  -0.06   0.34
    14   1    -0.05   0.20   0.01    -0.01   0.01  -0.01     0.00  -0.07   0.00
    15   1     0.12  -0.09   0.04     0.00   0.00  -0.01    -0.11   0.13  -0.04
    16   1    -0.03   0.19  -0.00     0.01  -0.02  -0.00    -0.08   0.01  -0.02
    17   1     0.02   0.03   0.21     0.03  -0.01   0.06     0.05   0.09   0.22
    18   1     0.03   0.00   0.22     0.02   0.01  -0.03     0.09   0.06   0.23
    19   1     0.03   0.05  -0.06     0.02   0.02  -0.07     0.05   0.13  -0.30
                     19                     20                     21
                      A                      A                      A
 Frequencies --    940.1008               951.7660               976.8342
 Red. masses --      1.5866                 1.5169                 1.4812
 Frc consts  --      0.8262                 0.8096                 0.8327
 IR Inten    --     28.3909                 0.8385                 2.2908
 RamAct Fr= 1--      3.0672                 1.8896                 2.1802
  Dep-P Fr= 1--      0.4369                 0.7221                 0.7482
  Dep-U Fr= 1--      0.6081                 0.8386                 0.8559
 Alpha2 Fr= 1--      0.0198                 0.0009                 0.0001
 Beta2  Fr= 1--      0.3109                 0.2641                 0.3110
 AlphaG Fr= 1--     -0.0148                 0.0046                -0.0007
 Gamma2 Fr= 1--     -1.0119                 0.6239                 0.2850
 Delta2 Fr= 1--     -0.8120                 0.3529                 0.3481
 Raman1 Fr= 1--      12.269                  7.558                  8.721
 ROA1   Fr= 1--    -123.126                 71.186                 38.503
 CID1   Fr= 1--     -10.036                  9.418                  4.415
 Raman2 Fr= 1--       3.730                  3.169                  3.732
 ROA2   Fr= 1--     -17.790                 12.150                  4.057
 CID2   Fr= 1--      -4.769                  3.834                  1.087
 Raman3 Fr= 1--       7.461                  6.339                  7.465
 ROA3   Fr= 1--    -123.126                 71.186                 38.503
 CID3   Fr= 1--     -16.504                 11.230                  5.158
 RC180  Fr= 1--       0.216                  0.677                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.09   0.03     0.02   0.02   0.09    -0.09  -0.00   0.07
     2   6     0.08  -0.05  -0.05     0.06  -0.01  -0.09    -0.05   0.07  -0.05
     3   6    -0.10  -0.04  -0.02    -0.05  -0.05   0.06     0.00  -0.01  -0.04
     4   6     0.01   0.02  -0.01     0.03   0.01  -0.03    -0.02   0.00   0.01
     5   8     0.04  -0.03   0.04     0.00  -0.01   0.01     0.01  -0.01   0.01
     6   6     0.00   0.09  -0.01    -0.01   0.02  -0.11     0.12  -0.05  -0.01
     7   7     0.00   0.02   0.04    -0.03   0.03  -0.00     0.01   0.01   0.01
     8   8    -0.01   0.03  -0.00    -0.01   0.01   0.01     0.00   0.01  -0.00
     9   1    -0.13  -0.15  -0.06    -0.05  -0.10   0.04     0.03  -0.02  -0.05
    10   1    -0.08   0.14  -0.21     0.16  -0.19   0.10    -0.18   0.24  -0.20
    11   1    -0.07  -0.02   0.10    -0.04  -0.00   0.03    -0.00  -0.01   0.02
    12   1    -0.02   0.03  -0.14     0.09  -0.09   0.02    -0.05   0.07  -0.05
    13   1    -0.22   0.22  -0.19    -0.06   0.19  -0.05    -0.04  -0.01  -0.04
    14   1     0.01  -0.17  -0.04     0.14  -0.12   0.25     0.19  -0.51   0.10
    15   1    -0.24   0.27  -0.09     0.10  -0.23   0.24    -0.20   0.09   0.04
    16   1    -0.10  -0.07  -0.03    -0.32   0.58   0.02    -0.17  -0.07   0.00
    17   1    -0.04   0.20  -0.11    -0.01  -0.11  -0.03     0.10  -0.12   0.54
    18   1    -0.03   0.00   0.58    -0.04  -0.06  -0.10     0.16   0.08  -0.19
    19   1    -0.10   0.18  -0.22     0.01  -0.14   0.32     0.16  -0.01  -0.11
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1079.1748              1094.5876              1127.2108
 Red. masses --      3.3100                 1.6390                 1.5110
 Frc consts  --      2.2713                 1.1570                 1.1312
 IR Inten    --      8.9736                11.4462                 1.7731
 RamAct Fr= 1--      1.9576                 4.9269                 0.8911
  Dep-P Fr= 1--      0.3454                 0.6252                 0.7298
  Dep-U Fr= 1--      0.5135                 0.7693                 0.8438
 Alpha2 Fr= 1--      0.0174                 0.0112                 0.0003
 Beta2  Fr= 1--      0.1675                 0.6317                 0.1253
 AlphaG Fr= 1--     -0.0003                -0.0093                -0.0019
 Gamma2 Fr= 1--     -0.9526                -1.1440                 0.8761
 Delta2 Fr= 1--     -0.2220                -1.5897                 0.6416
 Raman1 Fr= 1--       7.830                 19.708                  3.564
 ROA1   Fr= 1--     -98.551               -160.697                104.636
 CID1   Fr= 1--     -12.586                 -8.154                 29.357
 Raman2 Fr= 1--       2.010                  7.581                  1.504
 ROA2   Fr= 1--     -21.086                -14.739                 15.893
 CID2   Fr= 1--     -10.489                 -1.944                 10.568
 Raman3 Fr= 1--       4.021                 15.162                  3.008
 ROA3   Fr= 1--     -98.551               -160.697                104.636
 CID3   Fr= 1--     -24.512                -10.599                 34.790
 RC180  Fr= 1--       0.027                  0.539                  0.688
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.04   0.06     0.05   0.01   0.07    -0.07  -0.02   0.01
     2   6     0.01   0.11  -0.08    -0.08   0.07  -0.11     0.09   0.09  -0.01
     3   6    -0.20   0.28  -0.01     0.03  -0.06   0.03     0.02  -0.06  -0.04
     4   6     0.05  -0.02  -0.00     0.08  -0.00   0.01    -0.07   0.01   0.01
     5   8    -0.01   0.03   0.00    -0.04   0.02  -0.03     0.03  -0.02   0.01
     6   6     0.02  -0.08  -0.01     0.01  -0.06   0.06    -0.07  -0.05   0.03
     7   7     0.05  -0.21   0.01    -0.05   0.03  -0.00    -0.03   0.02   0.01
     8   8    -0.01  -0.04   0.00    -0.00  -0.01   0.01     0.01   0.02  -0.01
     9   1    -0.11   0.40   0.03     0.61  -0.08  -0.04    -0.07  -0.29  -0.11
    10   1     0.24   0.12  -0.31    -0.26   0.14  -0.05     0.43   0.03  -0.25
    11   1    -0.07   0.02  -0.01    -0.09   0.02  -0.06     0.04  -0.02   0.08
    12   1     0.29  -0.44   0.10     0.18  -0.18  -0.01     0.15  -0.15   0.00
    13   1     0.13  -0.05   0.03    -0.10   0.36  -0.10    -0.09   0.28  -0.09
    14   1     0.03   0.05   0.03    -0.06   0.05  -0.10    -0.12   0.36  -0.04
    15   1     0.17  -0.18   0.03     0.07  -0.03  -0.08     0.23  -0.17  -0.05
    16   1     0.08   0.03   0.01     0.17  -0.25   0.01     0.22  -0.02   0.02
    17   1    -0.02   0.09  -0.01    -0.04   0.01  -0.18     0.05   0.00   0.32
    18   1    -0.01  -0.01   0.24    -0.10  -0.07   0.13     0.13   0.08  -0.04
    19   1    -0.04   0.05   0.00    -0.09  -0.03   0.24     0.11   0.02  -0.17
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1190.8111              1210.6104              1250.3467
 Red. masses --      2.3767                 1.9921                 1.5617
 Frc consts  --      1.9857                 1.7202                 1.4385
 IR Inten    --     26.6574                 2.2117                 3.8816
 RamAct Fr= 1--      4.7892                 3.5269                 3.0173
  Dep-P Fr= 1--      0.6227                 0.3543                 0.4722
  Dep-U Fr= 1--      0.7675                 0.5232                 0.6415
 Alpha2 Fr= 1--      0.0111                 0.0305                 0.0169
 Beta2  Fr= 1--      0.6126                 0.3076                 0.3226
 AlphaG Fr= 1--     -0.0064                 0.0027                 0.0113
 Gamma2 Fr= 1--      1.6968                 0.0781                -1.7991
 Delta2 Fr= 1--      1.7706                 0.1924                -0.9018
 Raman1 Fr= 1--      19.157                 14.108                 12.069
 ROA1   Fr= 1--     219.555                 13.659               -201.570
 CID1   Fr= 1--      11.461                  0.968                -16.701
 Raman2 Fr= 1--       7.351                  3.691                  3.871
 ROA2   Fr= 1--      26.559                  0.336                -35.964
 CID2   Fr= 1--       3.613                  0.091                 -9.290
 Raman3 Fr= 1--      14.702                  7.382                  7.742
 ROA3   Fr= 1--     219.555                 13.659               -201.570
 CID3   Fr= 1--      14.934                  1.850                -26.036
 RC180  Fr= 1--       0.535                  0.046                  0.283
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.02  -0.03     0.02  -0.11  -0.06    -0.02  -0.03  -0.03
     2   6     0.09  -0.10   0.05    -0.05   0.15   0.14    -0.03  -0.03   0.08
     3   6    -0.04   0.02  -0.10     0.03  -0.04  -0.04     0.04   0.08  -0.01
     4   6     0.16   0.00   0.15     0.04   0.00   0.07    -0.10  -0.01  -0.10
     5   8    -0.06   0.08  -0.06    -0.02   0.03  -0.02     0.03  -0.05   0.02
     6   6    -0.00   0.07   0.01     0.00  -0.08  -0.10     0.04   0.03  -0.02
     7   7    -0.04  -0.02   0.04     0.00   0.02  -0.00    -0.04  -0.03   0.02
     8   8    -0.01  -0.07  -0.00     0.00  -0.02  -0.00     0.00   0.04   0.00
     9   1     0.17   0.06  -0.10     0.06  -0.09  -0.05     0.54   0.14  -0.04
    10   1     0.09  -0.24   0.27    -0.20   0.17   0.25     0.09  -0.23   0.28
    11   1    -0.37   0.09  -0.26    -0.15   0.03  -0.11     0.25  -0.07   0.24
    12   1     0.19  -0.24  -0.08    -0.02   0.03  -0.03     0.27  -0.32   0.07
    13   1    -0.18   0.30  -0.15    -0.01   0.02  -0.02    -0.09   0.31  -0.08
    14   1    -0.02  -0.02  -0.04     0.12  -0.02   0.23     0.07  -0.12   0.04
    15   1    -0.12   0.17  -0.05     0.14  -0.32   0.21    -0.12   0.08   0.06
    16   1    -0.04  -0.01  -0.00    -0.10   0.33  -0.01    -0.12   0.03  -0.01
    17   1     0.04  -0.10   0.27    -0.02   0.25  -0.05    -0.01   0.04   0.01
    18   1     0.09   0.07  -0.23     0.04   0.02   0.36     0.03   0.02   0.01
    19   1     0.13  -0.03  -0.14    -0.12   0.19  -0.36     0.00   0.05  -0.16
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1304.1075              1344.0115              1372.9483
 Red. masses --      1.6053                 1.2774                 1.4136
 Frc consts  --      1.6086                 1.3596                 1.5699
 IR Inten    --      7.6546                12.1445                 8.7819
 RamAct Fr= 1--      2.9061                 3.5147                 2.5045
  Dep-P Fr= 1--      0.6031                 0.4871                 0.5049
  Dep-U Fr= 1--      0.7524                 0.6551                 0.6710
 Alpha2 Fr= 1--      0.0079                 0.0184                 0.0121
 Beta2  Fr= 1--      0.3644                 0.3837                 0.2801
 AlphaG Fr= 1--     -0.0212                -0.0396                -0.0063
 Gamma2 Fr= 1--      0.2162                -0.1794                 1.6915
 Delta2 Fr= 1--      0.7795                 0.0742                -0.5305
 Raman1 Fr= 1--      11.625                 14.059                 10.018
 ROA1   Fr= 1--      45.694                -14.853                145.406
 CID1   Fr= 1--       3.931                 -1.057                 14.514
 Raman2 Fr= 1--       4.373                  4.605                  3.361
 ROA2   Fr= 1--      -1.048                 -4.900                 44.840
 CID2   Fr= 1--      -0.240                 -1.064                 13.341
 Raman3 Fr= 1--       8.746                  9.210                  6.722
 ROA3   Fr= 1--      45.694                -14.853                145.406
 CID3   Fr= 1--       5.224                 -1.613                 21.630
 RC180  Fr= 1--       0.505                  0.310                  0.342
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.02  -0.00     0.02   0.03  -0.00    -0.01   0.04   0.01
     2   6     0.13   0.03  -0.04     0.01  -0.05   0.05     0.06  -0.09   0.10
     3   6    -0.12  -0.09   0.02     0.08  -0.05  -0.06    -0.06   0.06   0.02
     4   6     0.01  -0.00  -0.06    -0.00  -0.00   0.01    -0.02   0.00  -0.02
     5   8    -0.00  -0.01   0.01    -0.01  -0.01  -0.01     0.02   0.01   0.02
     6   6    -0.05  -0.02   0.01    -0.02  -0.02  -0.03    -0.03  -0.02  -0.04
     7   7     0.04   0.02   0.00    -0.03  -0.01   0.05     0.00   0.00  -0.03
     8   8    -0.01   0.03   0.01    -0.00   0.02  -0.00     0.00  -0.02   0.01
     9   1     0.43   0.56   0.19    -0.30   0.58   0.19     0.46  -0.38  -0.17
    10   1    -0.27   0.05   0.31    -0.26   0.36  -0.32    -0.24   0.44  -0.42
    11   1     0.08  -0.02   0.04     0.09  -0.02   0.09    -0.10   0.02  -0.08
    12   1    -0.14   0.18  -0.02     0.15  -0.18  -0.00    -0.04   0.05   0.02
    13   1     0.04  -0.21   0.05    -0.13   0.23  -0.09     0.06  -0.06   0.03
    14   1    -0.05   0.13   0.00    -0.01   0.12   0.03     0.02   0.14   0.11
    15   1     0.11  -0.06  -0.06    -0.00  -0.06   0.03    -0.04  -0.06   0.05
    16   1     0.13   0.03   0.01    -0.04   0.12   0.00    -0.00   0.15  -0.01
    17   1     0.00   0.00   0.15     0.01  -0.07  -0.05    -0.03  -0.09  -0.13
    18   1     0.12   0.08  -0.01    -0.06  -0.02  -0.04     0.01   0.01  -0.19
    19   1     0.10  -0.01  -0.14     0.01  -0.03   0.09     0.11  -0.01  -0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1381.2699              1411.7578              1413.6579
 Red. masses --      1.3360                 1.4691                 1.3259
 Frc consts  --      1.5019                 1.7252                 1.5611
 IR Inten    --     54.1259               185.1708               124.5755
 RamAct Fr= 1--      3.4373                 2.3334                 1.0235
  Dep-P Fr= 1--      0.6866                 0.1860                 0.1361
  Dep-U Fr= 1--      0.8142                 0.3137                 0.2395
 Alpha2 Fr= 1--      0.0038                 0.0329                 0.0164
 Beta2  Fr= 1--      0.4664                 0.1220                 0.0409
 AlphaG Fr= 1--     -0.0075                 0.0255                 0.0187
 Gamma2 Fr= 1--      0.8480                -0.8471                -0.2475
 Delta2 Fr= 1--     -0.1154                -0.6375                -0.2667
 Raman1 Fr= 1--      13.749                  9.333                  4.094
 ROA1   Fr= 1--      77.713               -101.718                -32.289
 CID1   Fr= 1--       5.652                -10.898                 -7.887
 Raman2 Fr= 1--       5.597                  1.464                  0.490
 ROA2   Fr= 1--      21.275                -15.229                 -3.805
 CID2   Fr= 1--       3.801                -10.402                 -7.762
 Raman3 Fr= 1--      11.194                  2.928                  0.981
 ROA3   Fr= 1--      77.713               -101.718                -32.289
 CID3   Fr= 1--       6.942                -34.739                -32.930
 RC180  Fr= 1--       0.628                 -0.373                 -0.521
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01   0.01     0.01  -0.01   0.07    -0.01  -0.03   0.07
     2   6    -0.07   0.02   0.07    -0.02   0.01   0.02     0.00   0.02  -0.04
     3   6    -0.05  -0.10  -0.03    -0.05  -0.03  -0.02     0.04   0.01   0.02
     4   6    -0.01  -0.00  -0.03     0.09  -0.01   0.08    -0.05   0.01  -0.04
     5   8     0.02   0.02   0.02    -0.06  -0.02  -0.06     0.04   0.01   0.03
     6   6     0.02   0.02  -0.01     0.03  -0.03   0.01     0.05  -0.08   0.03
     7   7     0.02   0.02   0.01     0.01   0.02  -0.00    -0.01  -0.01   0.00
     8   8     0.01  -0.00   0.01    -0.02   0.04  -0.02     0.01  -0.03   0.01
     9   1     0.28   0.34   0.09     0.07  -0.05  -0.04    -0.12   0.05   0.05
    10   1     0.60  -0.12  -0.39     0.20  -0.04  -0.13    -0.10  -0.05   0.17
    11   1    -0.29   0.06  -0.26     0.51  -0.11   0.46    -0.31   0.07  -0.27
    12   1    -0.06   0.08  -0.07    -0.01   0.03  -0.01     0.01  -0.02   0.01
    13   1    -0.03  -0.10  -0.01     0.01  -0.12   0.02    -0.01   0.06  -0.01
    14   1     0.04  -0.09   0.03    -0.02   0.13  -0.06    -0.07   0.36  -0.17
    15   1    -0.04   0.00   0.09    -0.14   0.11  -0.05    -0.28   0.23  -0.17
    16   1    -0.05  -0.09  -0.02    -0.12   0.12   0.04    -0.20   0.29   0.10
    17   1    -0.02   0.01  -0.12    -0.12   0.08  -0.27    -0.13   0.08  -0.26
    18   1    -0.05  -0.05  -0.08     0.04  -0.08  -0.33     0.11  -0.03  -0.26
    19   1    -0.04   0.06  -0.01     0.00   0.20  -0.24     0.07   0.15  -0.27
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1434.4863              1490.7957              1494.9096
 Red. masses --      1.2343                 1.0395                 1.0530
 Frc consts  --      1.4965                 1.3611                 1.3865
 IR Inten    --     11.8249                 0.3869                 3.5180
 RamAct Fr= 1--      0.7933                 7.3585                 0.5016
  Dep-P Fr= 1--      0.4062                 0.7496                 0.6754
  Dep-U Fr= 1--      0.5778                 0.8569                 0.8063
 Alpha2 Fr= 1--      0.0057                 0.0000                 0.0007
 Beta2  Fr= 1--      0.0764                 1.0509                 0.0674
 AlphaG Fr= 1--      0.0020                -0.0006                -0.0038
 Gamma2 Fr= 1--     -0.0654                 0.4284                -0.2739
 Delta2 Fr= 1--     -0.0371                 0.2263                -0.0447
 Raman1 Fr= 1--       3.173                 29.434                  2.006
 ROA1   Fr= 1--      -7.469                 48.365                -27.723
 CID1   Fr= 1--      -2.354                  1.643                -13.818
 Raman2 Fr= 1--       0.917                 12.611                  0.809
 ROA2   Fr= 1--      -1.274                  8.470                 -6.215
 CID2   Fr= 1--      -1.389                  0.672                 -7.685
 Raman3 Fr= 1--       1.833                 25.222                  1.618
 ROA3   Fr= 1--      -7.469                 48.365                -27.723
 CID3   Fr= 1--      -4.074                  1.918                -17.139
 RC180  Fr= 1--       0.156                  0.714                  0.613
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.09     0.03   0.02   0.01    -0.03   0.01   0.01
     2   6    -0.01   0.01   0.02    -0.00   0.00  -0.01    -0.01   0.01  -0.03
     3   6    -0.03  -0.01  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.02   0.00   0.01    -0.00  -0.00  -0.00     0.01   0.01   0.01
     5   8    -0.01  -0.00  -0.01     0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6     0.06  -0.08   0.01    -0.03  -0.02  -0.01     0.01   0.00  -0.04
     7   7     0.01   0.01  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     9   1     0.12  -0.02  -0.01    -0.01   0.01   0.00    -0.06   0.01   0.01
    10   1     0.11  -0.02  -0.07     0.02  -0.05   0.05     0.03  -0.06   0.05
    11   1     0.08  -0.01   0.06    -0.00   0.00  -0.02     0.02  -0.00   0.02
    12   1    -0.03   0.04  -0.01     0.00  -0.01  -0.00    -0.01   0.01   0.00
    13   1     0.02  -0.06   0.02    -0.00  -0.00  -0.00     0.00   0.01   0.00
    14   1    -0.04   0.39  -0.10     0.15  -0.04   0.42     0.12   0.33   0.35
    15   1    -0.35   0.22  -0.10    -0.16   0.20  -0.24    -0.38  -0.01   0.39
    16   1    -0.22   0.28   0.09     0.49   0.20   0.01     0.13  -0.31  -0.09
    17   1     0.16  -0.05   0.35     0.09  -0.27   0.12    -0.07  -0.20  -0.21
    18   1    -0.11   0.05   0.36    -0.38  -0.23  -0.04     0.09   0.12   0.20
    19   1    -0.12  -0.20   0.33    -0.13   0.22  -0.17     0.37  -0.15  -0.07
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1507.6131              1513.9948              1656.1238
 Red. masses --      1.0446                 1.0564                 1.0912
 Frc consts  --      1.3988                 1.4266                 1.7634
 IR Inten    --      9.4583                12.4635                47.2885
 RamAct Fr= 1--      5.7795                 0.9999                 2.7283
  Dep-P Fr= 1--      0.7393                 0.7487                 0.6002
  Dep-U Fr= 1--      0.8501                 0.8563                 0.7501
 Alpha2 Fr= 1--      0.0010                 0.0000                 0.0076
 Beta2  Fr= 1--      0.8189                 0.1427                 0.3411
 AlphaG Fr= 1--      0.0015                -0.0001                -0.0183
 Gamma2 Fr= 1--      0.9496                 0.0719                -0.6076
 Delta2 Fr= 1--     -0.1907                 0.0520                -0.3042
 Raman1 Fr= 1--      23.118                  4.000                 10.913
 ROA1   Fr= 1--      85.060                  8.565                -68.067
 CID1   Fr= 1--       3.679                  2.141                 -6.237
 Raman2 Fr= 1--       9.827                  1.712                  4.093
 ROA2   Fr= 1--      24.316                  1.309                -12.149
 CID2   Fr= 1--       2.474                  0.764                 -2.968
 Raman3 Fr= 1--      19.653                  3.425                  8.186
 ROA3   Fr= 1--      85.060                  8.565                -68.067
 CID3   Fr= 1--       4.328                  2.501                 -8.315
 RC180  Fr= 1--       0.700                  0.713                  0.500
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.04  -0.00     0.03   0.00   0.01     0.00  -0.00   0.00
     2   6     0.00  -0.03  -0.02     0.04   0.00  -0.02    -0.00  -0.00   0.00
     3   6     0.00   0.00   0.00    -0.01   0.00   0.01    -0.01  -0.01  -0.02
     4   6    -0.00   0.00  -0.00    -0.01   0.00  -0.01     0.01  -0.00   0.01
     5   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.01   0.00  -0.02     0.02   0.02  -0.02     0.00   0.00  -0.00
     7   7    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.02  -0.07  -0.02
     8   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   1    -0.02   0.01   0.01     0.00  -0.01  -0.00     0.01   0.05  -0.01
    10   1    -0.02  -0.01  -0.03    -0.08   0.03   0.06     0.03  -0.02  -0.02
    11   1    -0.02   0.00  -0.01    -0.01   0.00  -0.02     0.03  -0.00   0.01
    12   1     0.01  -0.01  -0.00    -0.00   0.00   0.01    -0.41   0.36   0.44
    13   1    -0.01  -0.01  -0.01     0.01  -0.00   0.00     0.25   0.65   0.06
    14   1     0.10   0.11   0.30    -0.05   0.25  -0.11     0.00  -0.01   0.01
    15   1    -0.21   0.06   0.08    -0.08  -0.17   0.41    -0.01   0.01  -0.00
    16   1     0.24  -0.08  -0.04    -0.28  -0.34  -0.06     0.00   0.00   0.00
    17   1    -0.02   0.59   0.13     0.12  -0.08   0.25    -0.00   0.02   0.00
    18   1     0.30   0.08  -0.29    -0.35  -0.26  -0.19     0.00  -0.00  -0.02
    19   1    -0.37  -0.00   0.28    -0.33   0.28  -0.11    -0.02   0.01   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1834.5192              2985.8625              3036.3373
 Red. masses --      9.3980                 1.0830                 1.0362
 Frc consts  --     18.6350                 5.6890                 5.6286
 IR Inten    --    283.5996                33.5231                20.4500
 RamAct Fr= 1--     11.1065               104.9466                10.3169
  Dep-P Fr= 1--      0.2536                 0.2924                 0.1687
  Dep-U Fr= 1--      0.4046                 0.4525                 0.2887
 Alpha2 Fr= 1--      0.1303                 1.1011                 0.1520
 Beta2  Fr= 1--      0.7490                 7.9142                 0.4964
 AlphaG Fr= 1--      0.0083                 0.7259                 0.0584
 Gamma2 Fr= 1--      0.9150                 3.8680                -0.9740
 Delta2 Fr= 1--     -0.3598                -1.7192                -1.0018
 Raman1 Fr= 1--      44.426                419.786                 41.268
 ROA1   Fr= 1--      76.325                316.316               -125.557
 CID1   Fr= 1--       1.718                  0.754                 -3.043
 Raman2 Fr= 1--       8.988                 94.970                  5.957
 ROA2   Fr= 1--      24.838                106.586                -15.361
 CID2   Fr= 1--       2.764                  1.122                 -2.578
 Raman3 Fr= 1--      17.975                189.940                 11.915
 ROA3   Fr= 1--      76.325                316.316               -125.557
 CID3   Fr= 1--       4.246                  1.665                -10.538
 RC180  Fr= 1--      -0.191                 -0.095                 -0.423
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00   0.00     0.00   0.01   0.00     0.00  -0.00   0.04
     2   6    -0.01   0.01   0.01    -0.04  -0.06  -0.04     0.00   0.00   0.00
     3   6    -0.01  -0.05  -0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.01
     4   6    -0.04   0.70  -0.05     0.00   0.00   0.00     0.00   0.00   0.00
     5   8    -0.02  -0.06  -0.02    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00     0.01   0.00   0.00     0.02  -0.02   0.01
     7   7     0.00  -0.01   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   8     0.02  -0.43   0.03    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   1     0.07   0.15   0.03    -0.01   0.02  -0.06     0.01  -0.05   0.14
    10   1     0.07  -0.01  -0.04     0.47   0.73   0.47    -0.01  -0.02  -0.01
    11   1     0.38  -0.02   0.34     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   1     0.00  -0.01   0.03    -0.00   0.01   0.00    -0.00  -0.00   0.00
    13   1    -0.00   0.02  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    14   1    -0.00  -0.06  -0.02    -0.04  -0.00   0.02    -0.36  -0.04   0.14
    15   1     0.07  -0.02  -0.03    -0.02  -0.04  -0.02     0.12   0.21   0.12
    16   1     0.00   0.01   0.00     0.00   0.01  -0.05    -0.01   0.06  -0.37
    17   1    -0.00  -0.01  -0.01    -0.03   0.00   0.01     0.41   0.05  -0.14
    18   1    -0.03  -0.01   0.01     0.02  -0.03   0.00    -0.22   0.36  -0.07
    19   1    -0.01   0.02  -0.01    -0.03  -0.06  -0.04    -0.21  -0.36  -0.24
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3037.7537              3041.4443              3095.7370
 Red. masses --      1.0630                 1.0560                 1.1021
 Frc consts  --      5.7796                 5.7552                 6.2228
 IR Inten    --     19.0056                21.1253                23.0286
 RamAct Fr= 1--     51.4023               344.2429                50.5914
  Dep-P Fr= 1--      0.1429                 0.0200                 0.7460
  Dep-U Fr= 1--      0.2501                 0.0393                 0.8545
 Alpha2 Fr= 1--      0.8089                 7.2995                 0.0034
 Beta2  Fr= 1--      2.1429                 2.2521                 7.2053
 AlphaG Fr= 1--     -0.2491                 0.7014                -0.0222
 Gamma2 Fr= 1--      0.3890                 2.6461                 0.3182
 Delta2 Fr= 1--      2.3207                 0.7662                 2.8593
 Raman1 Fr= 1--     205.609               1376.972                202.366
 ROA1   Fr= 1--     111.600                278.542                122.043
 CID1   Fr= 1--       0.543                  0.202                  0.603
 Raman2 Fr= 1--      25.714                 27.025                 86.464
 ROA2   Fr= 1--      -9.230                 57.376                -15.238
 CID2   Fr= 1--      -0.359                  2.123                 -0.176
 Raman3 Fr= 1--      51.429                 54.050                172.928
 ROA3   Fr= 1--     111.600                278.542                122.043
 CID3   Fr= 1--       2.170                  5.153                  0.706
 RC180  Fr= 1--      -0.500                 -0.921                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.02     0.00  -0.00   0.02    -0.02  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6    -0.01   0.02  -0.06    -0.00   0.02  -0.05    -0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     6   6     0.01  -0.01   0.01    -0.02   0.02  -0.01     0.05   0.01  -0.07
     7   7    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     8   8    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     9   1     0.06  -0.24   0.70     0.05  -0.20   0.59     0.00  -0.01   0.04
    10   1     0.02   0.03   0.02     0.03   0.05   0.03     0.01   0.01   0.01
    11   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    12   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    13   1     0.01   0.00  -0.01     0.01   0.00  -0.01     0.00   0.00  -0.00
    14   1    -0.24  -0.02   0.10     0.40   0.04  -0.16    -0.64  -0.06   0.23
    15   1     0.09   0.14   0.08    -0.14  -0.23  -0.13     0.01   0.00  -0.02
    16   1    -0.01   0.05  -0.31     0.02  -0.07   0.40     0.04  -0.12   0.68
    17   1    -0.26  -0.03   0.09     0.18   0.02  -0.06     0.18   0.02  -0.06
    18   1     0.14  -0.23   0.05    -0.11   0.19  -0.04     0.03  -0.06   0.01
    19   1     0.13   0.23   0.15    -0.11  -0.20  -0.13     0.05   0.09   0.06
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3100.1793              3102.5399              3121.1505
 Red. masses --      1.1018                 1.1017                 1.1004
 Frc consts  --      6.2391                 6.2482                 6.3157
 IR Inten    --     25.0747                28.2507                13.4000
 RamAct Fr= 1--     51.7157                60.2038                31.8091
  Dep-P Fr= 1--      0.5614                 0.7438                 0.7493
  Dep-U Fr= 1--      0.7191                 0.8531                 0.8567
 Alpha2 Fr= 1--      0.1850                 0.0063                 0.0004
 Beta2  Fr= 1--      6.1985                 8.5599                 4.5419
 AlphaG Fr= 1--      0.0860                -0.0220                -0.0082
 Gamma2 Fr= 1--    -10.8980                 6.0916                 4.7708
 Delta2 Fr= 1--     -6.9756                 1.6470                 1.5334
 Raman1 Fr= 1--     206.863                240.815                127.237
 ROA1   Fr= 1--   -1269.431                637.494                507.062
 CID1   Fr= 1--      -6.137                  2.647                  3.985
 Raman2 Fr= 1--      74.381                102.719                 54.503
 ROA2   Fr= 1--    -205.749                133.022                102.231
 CID2   Fr= 1--      -2.766                  1.295                  1.876
 Raman3 Fr= 1--     148.763                205.439                109.005
 ROA3   Fr= 1--   -1269.431                637.494                507.062
 CID3   Fr= 1--      -8.533                  3.103                  4.652
 RC180  Fr= 1--       0.438                  0.706                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.07  -0.01     0.07  -0.06  -0.01    -0.01  -0.01  -0.00
     2   6    -0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.01  -0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.02     0.01   0.00  -0.01    -0.06  -0.05  -0.05
     7   7     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     8   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.01
    10   1     0.04   0.06   0.04     0.01   0.02   0.01     0.04   0.06   0.04
    11   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    12   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    13   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   1     0.10   0.01  -0.03    -0.10  -0.01   0.04     0.29   0.02  -0.12
    15   1    -0.05  -0.08  -0.04     0.01   0.01   0.00     0.39   0.70   0.39
    16   1    -0.01   0.03  -0.15     0.01  -0.02   0.09     0.00  -0.06   0.28
    17   1     0.54   0.05  -0.20    -0.53  -0.08   0.19     0.05   0.01  -0.02
    18   1    -0.15   0.21  -0.05    -0.39   0.66  -0.15    -0.01   0.02  -0.00
    19   1     0.31   0.54   0.38     0.10   0.14   0.10     0.03   0.05   0.04
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3452.1046              3504.7337              3580.0060
 Red. masses --      1.0640                 1.0494                 1.0947
 Frc consts  --      7.4706                 7.5943                 8.2665
 IR Inten    --    218.2757                 1.5194                 8.5171
 RamAct Fr= 1--     66.2884               121.6398                47.3584
  Dep-P Fr= 1--      0.0766                 0.0940                 0.7479
  Dep-U Fr= 1--      0.1422                 0.1719                 0.8558
 Alpha2 Fr= 1--      1.2287                 2.1610                 0.0017
 Beta2  Fr= 1--      1.5712                 3.4850                 6.7548
 AlphaG Fr= 1--     -0.0511                -0.2508                 0.0248
 Gamma2 Fr= 1--     -1.2548                 3.5696                -7.2767
 Delta2 Fr= 1--     -1.4734                 3.5669                -0.8539
 Raman1 Fr= 1--     265.154                486.559                189.434
 ROA1   Fr= 1--    -167.613                456.824               -725.894
 CID1   Fr= 1--      -0.632                  0.939                 -3.832
 Raman2 Fr= 1--      18.855                 41.820                 81.057
 ROA2   Fr= 1--     -18.329                 57.135               -167.811
 CID2   Fr= 1--      -0.972                  1.366                 -2.070
 Raman3 Fr= 1--      37.710                 83.641                162.114
 ROA3   Fr= 1--    -167.613                456.824               -725.894
 CID3   Fr= 1--      -4.445                  5.462                 -4.478
 RC180  Fr= 1--      -0.716                 -0.656                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     4   6     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   8    -0.01  -0.06  -0.01     0.00   0.01   0.00    -0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     7   7    -0.00  -0.01  -0.00     0.00  -0.04  -0.04     0.07   0.03  -0.04
     8   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   1     0.00  -0.01   0.00    -0.00   0.00   0.01     0.00  -0.00   0.01
    10   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    11   1     0.06   0.98   0.07    -0.01  -0.13  -0.01     0.00   0.02   0.00
    12   1     0.08   0.08   0.00     0.48   0.49  -0.02    -0.49  -0.52  -0.01
    13   1    -0.05   0.01   0.06    -0.47   0.09   0.53    -0.43   0.10   0.53
    14   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    15   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    16   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    17   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    18   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    19   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   730.288281009.065421258.98002
           X            0.99614  -0.08532  -0.02041
           Y            0.08517   0.99633  -0.00820
           Z            0.02103   0.00643   0.99976
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.11860     0.08584     0.06880
 Rotational constants (GHZ):           2.47127     1.78853     1.43349
 Zero-point vibrational energy     432973.5 (Joules/Mol)
                                  103.48316 (Kcal/Mol)
 Warning -- explicit consideration of  12 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     93.75   144.41   267.13   330.50   364.23
          (Kelvin)            374.53   406.68   486.60   507.85   621.37
                              674.28   781.20   946.39  1067.82  1157.20
                             1214.51  1248.26  1324.26  1352.60  1369.38
                             1405.45  1552.69  1574.87  1621.80  1713.31
                             1741.80  1798.97  1876.32  1933.73  1975.37
                             1987.34  2031.20  2033.94  2063.91  2144.92
                             2150.84  2169.12  2178.30  2382.79  2639.46
                             4295.99  4368.61  4370.65  4375.96  4454.08
                             4460.47  4463.86  4490.64  4966.81  5042.53
                             5150.83
 
 Zero-point correction=                           0.164911 (Hartree/Particle)
 Thermal correction to Energy=                    0.174047
 Thermal correction to Enthalpy=                  0.174992
 Thermal correction to Gibbs Free Energy=         0.131312
 Sum of electronic and zero-point Energies=           -402.406573
 Sum of electronic and thermal Energies=              -402.397437
 Sum of electronic and thermal Enthalpies=            -402.396493
 Sum of electronic and thermal Free Energies=         -402.440172
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  109.216             33.566             91.932
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.319
 Vibrational            107.439             27.604             23.425
 Vibration     1          0.597              1.971              4.295
 Vibration     2          0.604              1.949              3.447
 Vibration     3          0.632              1.859              2.271
 Vibration     4          0.652              1.796              1.881
 Vibration     5          0.664              1.757              1.709
 Vibration     6          0.668              1.745              1.660
 Vibration     7          0.682              1.706              1.518
 Vibration     8          0.719              1.599              1.221
 Vibration     9          0.729              1.569              1.153
 Vibration    10          0.793              1.401              0.853
 Vibration    11          0.826              1.320              0.741
 Vibration    12          0.898              1.155              0.559
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.398859D-60        -60.399180       -139.074252
 Total V=0       0.284778D+16         15.454506         35.585316
 Vib (Bot)       0.232319D-73        -73.633914       -169.548354
 Vib (Bot)    1  0.316736D+01          0.500697          1.152898
 Vib (Bot)    2  0.204462D+01          0.310613          0.715213
 Vib (Bot)    3  0.107964D+01          0.033280          0.076629
 Vib (Bot)    4  0.857535D+00         -0.066748         -0.153694
 Vib (Bot)    5  0.769812D+00         -0.113615         -0.261609
 Vib (Bot)    6  0.746030D+00         -0.127244         -0.292989
 Vib (Bot)    7  0.679230D+00         -0.167983         -0.386796
 Vib (Bot)    8  0.549654D+00         -0.259911         -0.598466
 Vib (Bot)    9  0.521690D+00         -0.282588         -0.650682
 Vib (Bot)   10  0.402853D+00         -0.394853         -0.909183
 Vib (Bot)   11  0.360329D+00         -0.443301         -1.020739
 Vib (Bot)   12  0.290981D+00         -0.536136         -1.234499
 Vib (V=0)       0.165872D+03          2.219772          5.111215
 Vib (V=0)    1  0.370658D+01          0.568973          1.310110
 Vib (V=0)    2  0.260487D+01          0.415786          0.957383
 Vib (V=0)    3  0.168980D+01          0.227835          0.524611
 Vib (V=0)    4  0.149266D+01          0.173960          0.400557
 Vib (V=0)    5  0.141794D+01          0.151657          0.349204
 Vib (V=0)    6  0.139809D+01          0.145534          0.335105
 Vib (V=0)    7  0.134342D+01          0.128211          0.295217
 Vib (V=0)    8  0.124305D+01          0.094488          0.217566
 Vib (V=0)    9  0.122261D+01          0.087287          0.200985
 Vib (V=0)   10  0.114210D+01          0.057704          0.132867
 Vib (V=0)   11  0.111631D+01          0.047784          0.110028
 Vib (V=0)   12  0.107851D+01          0.032823          0.075577
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.344796D+06          5.537562         12.750707
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3 3        3333333 2                                       1      1 11111111111 111 111                                      
     5  5 4        1110000 9                                       8      6 55444443333 221 100  9999 888 7  6   5  44 332222 1  1   
     8  0 5        2009433 8                                       3      5 10993118740 519 297  7542 640 4  5   4  63 538653 8  06  
     0  5 2        1306186 6                                       5      6 48514421344 011 759  7200 844 2  8   3  92 383030 6  05  
 
     X  X X        XXXXXXX X                                       X      X XXXXXXXXXXX XXX XXX  XXXX XXX X  X   X  XX XXXXXX X  XX  
          X         XXX    X                                       X      X      XXX      X        XX X X                            
          X                                                        X      X      XXX                X X                              
          X                                                        X             XXX                X X                              
          X                                                        X             XX                 X X                              
          X                                                        X             XX                                                  
          X                                                        X             XX                                                  
          X                                                        X             XX                                                  
          X                                                        X             XX                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X                                                                 
          X                                                        X                                                                 
                                                                   X                                                                 
                                                                   X                                                                 
                                                                   X                                                                 
                                                                   X                                                                 
                                                                   X                                                                 
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000001652   -0.000000477   -0.000001729
      2        6           0.000003500    0.000002749    0.000003534
      3        6          -0.000007881    0.000011348    0.000002724
      4        6           0.000001928   -0.000003206    0.000000115
      5        8           0.000001125    0.000002898    0.000001454
      6        6           0.000000644   -0.000001155    0.000002439
      7        7           0.000004675   -0.000012241    0.000000111
      8        8          -0.000000846    0.000001242   -0.000002553
      9        1           0.000000887   -0.000001392    0.000000008
     10        1          -0.000002425    0.000000412   -0.000000514
     11        1          -0.000003324   -0.000003229   -0.000003216
     12        1          -0.000000842   -0.000000148   -0.000000524
     13        1           0.000001607   -0.000000222   -0.000000451
     14        1           0.000000510    0.000001430    0.000000271
     15        1           0.000000581   -0.000000337   -0.000000527
     16        1           0.000000614   -0.000000673    0.000000067
     17        1          -0.000000132    0.000001585    0.000000049
     18        1           0.000000382    0.000001853   -0.000000722
     19        1           0.000000649   -0.000000438   -0.000000534
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000012241 RMS     0.000002981
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.811660D+02 -0.275438D+01  0.203697D+01
      2  -0.275438D+01  0.831208D+02 -0.135126D+01
      3   0.203697D+01 -0.135126D+01  0.733874D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.172618D+01  0.176729D+01  0.812213D+01
      2   0.109012D+02  0.211375D+01 -0.272043D+02
      3  -0.101975D+02  0.133122D+02 -0.175600D+00
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.759012D+02  0.117876D+02  0.215084D+02
      2   0.423322D+02 -0.837738D+01 -0.159593D+02
      3   0.335690D+02 -0.341018D+01 -0.554906D+01
      4  -0.115331D+02 -0.255546D+02  0.123276D+02
      5   0.160587D+02  0.943316D+01 -0.528034D+02
      6   0.116806D+02 -0.119038D+02 -0.218133D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.501425D+01  0.145707D+01 -0.390221D+01  0.112446D+01 -0.340067D+01
      2   0.145707D+01 -0.341305D+01 -0.695548D+00 -0.340067D+01  0.153589D+01
      3  -0.390221D+01 -0.695548D+00  0.173150D+00 -0.456736D+00 -0.273711D+01
                 6             7             8             9            10 
      1  -0.456736D+00 -0.310295D+01 -0.550001D+00 -0.151988D+00 -0.430056D+01
      2  -0.273711D+01 -0.550001D+00 -0.208394D+01 -0.222058D+01 -0.116155D+00
      3  -0.174086D+01 -0.151988D+00 -0.222058D+01  0.231643D+01  0.301472D+01
                11            12            13            14            15 
      1  -0.116155D+00  0.301472D+01  0.924186D+00  0.418178D+01  0.747056D+00
      2   0.363294D+01  0.860217D+00  0.418178D+01  0.145711D+01  0.296854D+01
      3   0.860217D+00  0.332634D+00  0.747056D+00  0.296854D+01  0.276547D+01
                16            17            18            19            20 
      1   0.426580D+01  0.940408D+00  0.296199D+00  0.398193D+01 -0.686834D-01
      2   0.940408D+00  0.284451D+01  0.343354D+01 -0.686834D-01 -0.189195D+01
      3   0.296199D+00  0.343354D+01 -0.339508D+01 -0.182268D+01 -0.123246D+01
                21            22            23            24            25 
      1  -0.182268D+01  0.251643D+00 -0.263128D+01 -0.956274D+00 -0.210979D+01
      2  -0.123246D+01 -0.263128D+01  0.391736D+00  0.167678D+00 -0.141800D+01
      3   0.521444D+00 -0.956274D+00  0.167678D+00 -0.228925D+01  0.989673D+00
                26            27            28            29            30 
      1  -0.141800D+01  0.989673D+00  0.929233D-01  0.779205D+00  0.707818D-01
      2  -0.458292D+00 -0.307601D+01  0.779205D+00  0.230032D+01  0.113968D+01
      3  -0.307601D+01  0.409889D+01  0.707818D-01  0.113968D+01  0.460408D+00
                31            32            33            34            35 
      1  -0.828338D+00  0.124043D+00  0.807087D+00 -0.851127D+00  0.129836D+01
      2   0.124043D+00 -0.571994D+01  0.119550D+01  0.129836D+01  0.221027D+01
      3   0.807087D+00  0.119550D+01  0.747858D+00 -0.303357D+00  0.130848D+01
                36            37            38            39            40 
      1  -0.303357D+00  0.543879D+01 -0.905312D+00  0.200198D+01  0.532025D+00
      2   0.130848D+01 -0.905312D+00  0.316773D+00 -0.174398D-01  0.197233D+01
      3  -0.248149D+00  0.200198D+01 -0.174398D-01  0.126043D+01  0.109458D+01
                41            42            43            44            45 
      1   0.197233D+01  0.109458D+01  0.263313D+01 -0.600497D-01  0.222462D+01
      2   0.378166D+01  0.195528D+01 -0.600497D-01  0.463171D+00 -0.619946D+00
      3   0.195528D+01  0.984841D+00  0.222462D+01 -0.619946D+00  0.345318D+01
                46            47            48            49            50 
      1   0.558810D+01  0.285298D+00 -0.281013D+01  0.878008D+00 -0.310920D+01
      2   0.285298D+00 -0.305864D+01 -0.371218D+00 -0.310920D+01 -0.734837D+00
      3  -0.281013D+01 -0.371218D+00  0.318340D+00 -0.572929D+00 -0.189998D+01
                51            52            53            54            55 
      1  -0.572929D+00 -0.334313D+01 -0.400246D+00  0.993830D+00  0.959175D+00
      2  -0.189998D+01 -0.400246D+00 -0.154989D+01 -0.269918D+01  0.609306D+00
      3  -0.204476D+01  0.993830D+00 -0.269918D+01  0.595419D+01  0.185925D+01
                56            57            58            59            60 
      1   0.609306D+00  0.185925D+01  0.293412D+00  0.330647D+01  0.103485D-01
      2   0.346179D+01  0.236442D+00  0.330647D+01 -0.297775D+00  0.886415D+00
      3   0.236442D+00 -0.189848D+01  0.103485D-01  0.886415D+00  0.588786D+00
                61            62            63            64            65 
      1   0.284745D+01 -0.881199D+00 -0.235004D+01 -0.115001D+01  0.282911D+01
      2  -0.881199D+00  0.176088D+01  0.838802D+00  0.282911D+01  0.147747D+00
      3  -0.235004D+01  0.838802D+00  0.167428D+01 -0.497131D+00 -0.475411D+00
                66            67            68            69            70 
      1  -0.497131D+00  0.389283D+01  0.107313D+01  0.142549D-01 -0.296532D+00
      2  -0.475411D+00  0.107313D+01  0.133557D+02 -0.134971D+01 -0.483122D+00
      3  -0.362439D+00  0.142549D-01 -0.134971D+01  0.203965D+01  0.216155D+00
                71            72            73            74            75 
      1  -0.483122D+00  0.216155D+00 -0.119781D+01  0.468918D+00 -0.828519D+00
      2  -0.923876D+00  0.262532D+01  0.468918D+00 -0.140832D-01  0.162522D+00
      3   0.262532D+01 -0.855088D+00 -0.828519D+00  0.162522D+00 -0.393792D+00
                76            77            78            79            80 
      1   0.720479D+00  0.115129D+00  0.163401D+00 -0.137807D+01  0.509067D+00
      2   0.115129D+00  0.114699D+01 -0.156864D+01  0.509067D+00 -0.197363D+01
      3   0.163401D+00 -0.156864D+01  0.194830D+01 -0.133706D+00  0.172193D+01
                81            82            83            84            85 
      1  -0.133706D+00 -0.221408D+01 -0.157282D+01 -0.161302D+01 -0.238392D+01
      2   0.172193D+01 -0.157282D+01 -0.231934D+01 -0.750700D+00 -0.237962D+01
      3  -0.752672D+01 -0.161302D+01 -0.750700D+00 -0.131418D+01 -0.752144D+00
                86            87            88            89            90 
      1  -0.237962D+01 -0.752144D+00 -0.223997D+01 -0.753637D+00 -0.119478D+01
      2  -0.494359D+01 -0.205804D+01 -0.753637D+00 -0.233064D+01 -0.207239D+01
      3  -0.205804D+01 -0.220088D+01 -0.119478D+01 -0.207239D+01 -0.191908D+01
                91            92            93            94            95 
      1   0.119277D+01 -0.835139D+00  0.741317D-01 -0.244364D+01 -0.169203D+00
      2  -0.835139D+00 -0.331085D-01 -0.602907D+00 -0.169203D+00 -0.511414D+01
      3   0.741317D-01 -0.602907D+00  0.136378D+00 -0.166969D+01 -0.614967D+00
                96            97            98            99           100 
      1  -0.166969D+01  0.105559D+00 -0.688230D+00  0.475191D-01 -0.224446D+01
      2  -0.614967D+00 -0.688230D+00 -0.219329D+00 -0.947946D+00 -0.171177D+01
      3  -0.228681D+01  0.475191D-01 -0.947946D+00  0.834401D+00 -0.150073D-01
               101           102           103           104           105 
      1  -0.171177D+01 -0.150073D-01 -0.216521D+01 -0.194249D+01 -0.300429D+00
      2  -0.403682D+01 -0.691992D+00 -0.194249D+01 -0.635832D+01 -0.121726D+01
      3  -0.691992D+00 -0.728604D+00 -0.300429D+00 -0.121726D+01 -0.136511D+01
               106           107           108           109           110 
      1   0.238599D+00  0.437179D-01  0.123776D+00  0.348239D+01 -0.158319D+01
      2   0.437179D-01 -0.389820D+00 -0.593455D+00 -0.158319D+01  0.178059D+01
      3   0.123776D+00 -0.593455D+00 -0.210408D+00 -0.226815D+01  0.128965D+01
               111           112           113           114           115 
      1  -0.226815D+01 -0.689456D+00  0.961228D+00  0.562841D+00 -0.306801D+01
      2   0.128965D+01  0.961228D+00 -0.145570D+01 -0.109916D+01  0.146927D+01
      3   0.318457D+01  0.562841D+00 -0.109916D+01 -0.980652D+00  0.284775D+01
               116           117           118           119           120 
      1   0.146927D+01  0.284775D+01 -0.975594D+01  0.131102D+01  0.152462D+01
      2  -0.201102D+01 -0.201414D+01  0.131102D+01 -0.124701D+01  0.159518D-02
      3  -0.201414D+01 -0.370148D+01  0.152462D+01  0.159518D-02 -0.160854D+01
               121           122           123           124           125 
      1  -0.555042D+00 -0.715364D+00  0.537523D-01  0.279782D+01 -0.449585D+00
      2  -0.715364D+00  0.152227D+00  0.475176D+00 -0.449585D+00  0.808004D+00
      3   0.537523D-01  0.475176D+00 -0.715855D-01 -0.153297D+01  0.365334D+00
               126           127           128           129           130 
      1  -0.153297D+01  0.136598D+01  0.642660D+00  0.751584D+00  0.163039D+01
      2   0.365334D+00  0.642660D+00  0.183128D+01  0.381756D+00  0.586879D+00
      3   0.508666D+00  0.751584D+00  0.381756D+00  0.776699D+00  0.356005D+00
               131           132           133           134           135 
      1   0.586879D+00  0.356005D+00  0.126686D+01  0.651311D-01  0.183056D+00
      2   0.513566D+01  0.124269D+01  0.651311D-01  0.219386D+01  0.145479D+01
      3   0.124269D+01  0.165615D+01  0.183056D+00  0.145479D+01  0.751113D+00
               136           137           138           139           140 
      1  -0.105983D+01  0.347482D+00 -0.873594D+00  0.193633D+00 -0.113653D+00
      2   0.347482D+00  0.147890D+00  0.180048D+00 -0.113653D+00  0.122266D+01
      3  -0.873594D+00  0.180048D+00 -0.586501D+00  0.357425D+00 -0.120278D+01
               141           142           143           144           145 
      1   0.357425D+00 -0.187750D+01  0.856228D+00 -0.159015D+01 -0.751367D+01
      2  -0.120278D+01  0.856228D+00 -0.204554D+01  0.237978D+01 -0.116583D+01
      3   0.141844D+01 -0.159015D+01  0.237978D+01 -0.803179D+01  0.349974D+01
               146           147           148           149           150 
      1  -0.116583D+01  0.349974D+01 -0.885392D+00 -0.755820D+00  0.419597D+00
      2  -0.116829D+01  0.781807D+00 -0.755820D+00 -0.786588D+00  0.885161D+00
      3   0.781807D+00 -0.320665D+01  0.419597D+00  0.885161D+00 -0.178466D+00
               151           152           153           154           155 
      1   0.229164D+01  0.418094D+00 -0.204257D+01  0.131181D+01 -0.149517D+01
      2   0.418094D+00  0.668720D+00 -0.249118D+00 -0.149517D+01  0.221634D+01
      3  -0.204257D+01 -0.249118D+00  0.202289D+01  0.776609D+00 -0.717406D+00
               156           157           158           159           160 
      1   0.776609D+00 -0.192280D+01  0.178254D+01 -0.261539D+00  0.644085D+00
      2  -0.717406D+00  0.178254D+01 -0.546498D+01  0.217077D+01 -0.351051D+00
      3   0.139290D+01 -0.261539D+00  0.217077D+01 -0.218736D+01  0.704868D+00
               161           162           163           164           165 
      1  -0.351051D+00  0.704868D+00  0.100823D+01  0.723996D+00  0.105702D+01
      2   0.141519D+01 -0.113253D+01  0.723996D+00  0.134662D+01  0.521366D+00
      3  -0.113253D+01  0.107724D+01  0.105702D+01  0.521366D+00  0.154225D+01
               166           167           168           169           170 
      1   0.143274D+01  0.111377D+01  0.383397D+00  0.117613D+01  0.434855D+00
      2   0.111377D+01  0.269627D+01  0.180044D+01  0.434855D+00  0.162139D+01
      3   0.383397D+00  0.180044D+01  0.319623D+01  0.672122D+00  0.149731D+01
               171 
      1   0.672122D+00
      2   0.149731D+01
      3   0.319652D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.415818D+00 -0.713846D+01 -0.104663D+01 -0.634107D+01  0.194113D+01
      2  -0.258547D+01 -0.261844D+01  0.106238D+02 -0.197512D+01  0.102224D+02
      3  -0.191952D+01 -0.830355D+01  0.216428D+01 -0.407241D+01  0.460709D+01
                 6             7             8             9            10 
      1  -0.100051D+02 -0.112080D+01 -0.408914D+01 -0.359441D+00  0.145339D+01
      2   0.351665D+01  0.416438D+01  0.412258D+01 -0.369681D+01 -0.762883D+01
      3  -0.355354D+01  0.145632D+01 -0.243133D+01 -0.309733D+01  0.219959D+01
                11            12            13            14            15 
      1   0.677101D-03  0.368297D-01  0.515130D-01  0.473452D+00 -0.323660D+01
      2  -0.205774D+01  0.378027D+01  0.150630D+01 -0.231204D+01 -0.301052D+01
      3   0.308347D+01  0.177281D+01  0.865509D+01 -0.103498D+01  0.343436D+01
                16            17            18            19            20 
      1  -0.118941D+01  0.225256D+01 -0.186192D+01 -0.179724D+01  0.170208D+01
      2  -0.140006D+01 -0.229375D+01  0.468394D+01  0.113858D+01  0.362117D+00
      3  -0.117779D+01  0.263924D+01  0.387525D+01 -0.559347D+00 -0.346104D+01
                21            22            23            24            25 
      1  -0.112957D+01  0.411773D+01 -0.200650D+00  0.690723D+00  0.246686D+01
      2  -0.113207D+01 -0.705926D+00 -0.206746D+01  0.240916D+01 -0.708773D+01
      3   0.872700D-01  0.339646D+01 -0.669778D+00 -0.268482D+01  0.115811D+01
                26            27            28            29            30 
      1   0.385089D+01  0.276101D+01 -0.115672D+01 -0.443175D+01  0.300604D+00
      2  -0.151930D+01  0.318939D+01  0.119316D+02  0.412792D+01  0.247997D+01
      3  -0.905835D+00  0.178715D+00 -0.279086D+01 -0.761784D+01 -0.239665D+01
                31            32            33            34            35 
      1  -0.348714D+01  0.640662D+00  0.672079D+01  0.246626D+01  0.695466D+01
      2  -0.723920D+00  0.134410D+01 -0.571283D+00 -0.898809D+01 -0.244242D+01
      3  -0.594546D+01  0.781612D+01  0.200185D+01 -0.232238D+00  0.368113D+01
                36            37            38            39            40 
      1  -0.153255D+01 -0.904568D+00  0.384137D+01  0.845422D+00  0.279138D+01
      2  -0.908424D+01 -0.179118D+01 -0.124279D+01  0.526813D+01  0.297914D+00
      3  -0.130996D+00  0.220565D+01 -0.688357D+01  0.705808D+00 -0.169036D+01
                41            42            43            44            45 
      1   0.823470D+01  0.198681D-01 -0.960572D+00  0.498675D+01 -0.375305D+00
      2   0.340926D+01  0.302562D+01  0.205244D+01  0.935301D+00  0.897442D+01
      3  -0.126782D+02 -0.607976D+01 -0.178413D+01 -0.556238D+01  0.884642D+00
                46            47            48            49            50 
      1   0.304693D+01  0.250827D+01 -0.453208D+00  0.244924D+01  0.212103D+01
      2   0.982854D+01  0.108762D+01 -0.530839D+00  0.152561D+01  0.254874D+01
      3   0.798671D+01 -0.113049D+02 -0.436533D+01 -0.475610D+01 -0.634302D+01
                51            52            53            54            55 
      1   0.185234D+01 -0.239119D+01  0.705700D+01 -0.720864D+01  0.402656D+01
      2   0.459835D+01 -0.679490D+01  0.638709D+01 -0.130378D+02  0.316704D+01
      3  -0.535251D+01 -0.485878D+01 -0.466789D+01 -0.506942D+01 -0.367658D+01
                56            57            58            59            60 
      1  -0.338948D+01 -0.348735D+01 -0.343307D+01  0.376446D+01 -0.368608D+01
      2  -0.678542D+00  0.226071D+01 -0.872948D+00  0.424232D+01 -0.113623D+01
      3  -0.118798D+02 -0.442703D+01 -0.161379D+01 -0.665962D+01 -0.126810D+01
                61            62            63            64            65 
      1  -0.571865D+01  0.576404D+01  0.352892D+01  0.126567D+01  0.579606D+00
      2  -0.502435D+01  0.128736D+01  0.147896D+01 -0.346111D+01 -0.168148D+01
      3  -0.344428D+01 -0.747356D+00  0.431013D+01 -0.492928D+01  0.217484D+00
                66            67            68            69            70 
      1  -0.584523D+00 -0.110828D+01 -0.117422D+01 -0.124622D+02 -0.732209D+00
      2   0.140631D+01  0.312578D+01 -0.313953D+00  0.228975D+01 -0.146264D+01
      3   0.833935D+00  0.136703D+02 -0.154457D+02  0.174756D+01  0.817807D+00
                71            72            73            74            75 
      1  -0.117778D+00  0.553877D+00 -0.740185D+00  0.428147D+00 -0.160523D+00
      2   0.479283D+01  0.111214D+01 -0.145539D+01  0.676114D+00  0.127529D+00
      3  -0.202243D+00 -0.442133D+01  0.285379D+00 -0.507737D+00  0.487376D+00
                76            77            78            79            80 
      1  -0.190194D+00 -0.214111D+01  0.254848D+00 -0.978066D+00  0.474179D+01
      2   0.162710D+01 -0.593656D+00 -0.138159D+00 -0.385584D+01  0.841962D+00
      3   0.172305D+01  0.664607D-02  0.839871D+00 -0.314029D+00  0.120055D+00
                81            82            83            84            85 
      1  -0.145711D+01 -0.450953D+00  0.666843D+00 -0.129913D+01  0.458939D+00
      2  -0.100353D+00  0.877846D+00  0.465507D+00  0.248428D+01 -0.164285D+01
      3  -0.389985D+00 -0.325985D+00 -0.419874D+01 -0.186920D+00  0.141018D+01
                86            87            88            89            90 
      1   0.112652D+01 -0.256893D+01 -0.321919D+00  0.150908D+01 -0.733460D+00
      2   0.124616D+01  0.353225D+01 -0.165842D+01  0.219220D+01  0.215611D+01
      3  -0.633884D+01 -0.275357D+01  0.176019D+01 -0.322220D+01 -0.229266D+01
                91            92            93            94            95 
      1  -0.700004D-02 -0.257817D+01  0.266698D+00 -0.235096D+01 -0.104698D+02
      2   0.198868D+01 -0.922229D-01  0.639224D-01 -0.807038D+00 -0.180057D+01
      3   0.159074D+00  0.110779D+01  0.957942D+00  0.274937D+01  0.168725D+02
                96            97            98            99           100 
      1  -0.334912D+01 -0.632167D+00 -0.103787D+01  0.117972D+01  0.951308D+00
      2  -0.503564D+01 -0.911069D+00 -0.252840D+01  0.286916D-01 -0.187525D+01
      3   0.417536D+01  0.570557D+00  0.337296D+01  0.240416D+01  0.883459D+01
               101           102           103           104           105 
      1   0.202261D+01 -0.227939D+01  0.311085D+00  0.240794D+01 -0.324365D+01
      2  -0.803233D+00  0.609322D+00 -0.165262D+01 -0.178361D+01 -0.318041D+00
      3   0.585042D+01  0.342809D+00  0.787656D+01  0.947751D+01  0.223739D+01
               106           107           108           109           110 
      1   0.365613D+00  0.216219D+00  0.585560D+00 -0.335137D+01  0.118726D+01
      2   0.148195D+00 -0.447528D-01  0.497303D+00  0.551613D+00  0.574353D+00
      3  -0.898769D+00  0.232139D+00 -0.567928D-02 -0.518975D+01  0.484232D+00
               111           112           113           114           115 
      1   0.665361D+01  0.534385D+00 -0.970635D+00 -0.196512D+01  0.453342D+01
      2   0.329852D+01 -0.577160D-01 -0.274808D+00 -0.897488D+00 -0.704425D+00
      3   0.302415D+01  0.148980D+01  0.216586D+00 -0.180817D+00  0.490609D+01
               116           117           118           119           120 
      1  -0.115270D+01 -0.596946D+01 -0.252418D+01  0.652615D-01  0.211109D+01
      2  -0.114782D+01 -0.286627D+01 -0.793606D+01  0.406899D+00  0.744793D+01
      3  -0.159769D+00 -0.381037D+01 -0.816381D+01 -0.455342D+01  0.206740D+01
               121           122           123           124           125 
      1   0.395288D+00 -0.555399D+00 -0.920196D+00  0.146342D+01  0.313127D+00
      2  -0.937134D-01 -0.165027D+01  0.342646D+00  0.379985D+01 -0.744401D+00
      3  -0.930076D+00 -0.592920D+00  0.133476D+01  0.222124D+01  0.250627D+01
               126           127           128           129           130 
      1  -0.850290D+00 -0.137801D+01 -0.103190D+01 -0.174735D+01 -0.109724D+01
      2  -0.257351D+01 -0.148750D+01 -0.505717D+00 -0.851608D+00 -0.616755D+00
      3  -0.569901D+00  0.617833D+01  0.534614D+01  0.229961D+01  0.714885D+01
               131           132           133           134           135 
      1  -0.366693D+01 -0.469577D+01 -0.418640D+00 -0.143988D+01 -0.208315D+01
      2  -0.254231D+01 -0.312768D+01 -0.148334D+01 -0.275893D+01 -0.142708D+01
      3   0.129791D+02  0.404554D+01  0.277828D+01  0.521291D+01  0.357812D+01
               136           137           138           139           140 
      1   0.622880D+00 -0.454091D+00  0.565734D+00 -0.547826D+00  0.176282D+00
      2   0.124862D+01 -0.554139D+00  0.173474D+01 -0.382480D+00  0.245071D+01
      3  -0.318776D-01  0.758044D-01 -0.888322D-01  0.144976D+01  0.268460D+01
               141           142           143           144           145 
      1  -0.212087D+01  0.687353D+00  0.154999D+01  0.833231D+01  0.101983D+01
      2  -0.311547D+01 -0.100798D+01 -0.410517D+01  0.169322D+02  0.805567D+01
      3  -0.214817D+01 -0.676794D+00 -0.416845D+01  0.412995D+01  0.476834D+01
               146           147           148           149           150 
      1  -0.226949D+01 -0.165436D+01 -0.387167D+00 -0.262412D+00  0.136860D+00
      2   0.412323D+00  0.207171D+01  0.949231D+00 -0.588816D+00 -0.294509D+00
      3  -0.321840D+01 -0.130255D+01  0.658648D+00 -0.702578D+00  0.876059D+00
               151           152           153           154           155 
      1  -0.956227D+00  0.207011D+01  0.114862D+01 -0.218168D+01  0.437919D+01
      2  -0.266596D+01 -0.603571D+00 -0.206396D+00 -0.489863D+01  0.380491D+01
      3  -0.132956D+01  0.129719D+01  0.141547D+01 -0.453945D+01  0.350925D+01
               156           157           158           159           160 
      1   0.144223D+01  0.386451D+01 -0.794221D+01 -0.124876D+01  0.344768D+00
      2  -0.157640D+01  0.490986D+01 -0.662121D+01  0.254149D+01 -0.299125D+01
      3  -0.120892D+01  0.671474D+01 -0.821619D+01  0.245521D+01 -0.118934D+01
               161           162           163           164           165 
      1   0.238348D+01 -0.740866D+00  0.252115D+01  0.391203D+01  0.161981D+01
      2   0.217651D+01 -0.209139D+01 -0.465026D+01 -0.235922D+01 -0.287287D+01
      3   0.172634D+01 -0.241122D+01  0.885525D+00  0.693772D+00 -0.919847D-01
               166           167           168           169           170 
      1   0.295030D+01  0.717291D+01  0.313365D+01  0.171544D+01  0.574834D+01
      2  -0.441072D+01 -0.491494D+01 -0.461089D+01 -0.471217D+01 -0.317037D+01
      3   0.264874D+01  0.264474D+01  0.189216D+01  0.237107D+00  0.127922D+01
               171 
      1   0.440702D+01
      2  -0.498814D+01
      3   0.142245D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.129289D+02 -0.781803D+01  0.168063D+02 -0.698560D+01  0.178694D+02
      2   0.125881D+02  0.118938D+02 -0.847336D+01  0.106072D+02 -0.836668D+01
      3   0.340802D+00 -0.407581D+01 -0.833291D+01 -0.362157D+01 -0.950275D+01
      4  -0.106214D+02  0.536958D+01  0.704611D+01  0.640331D+01  0.167255D+01
      5   0.239498D+02  0.519471D+01 -0.112046D+02  0.342788D+01 -0.176204D+01
      6   0.817976D+01 -0.911927D+01 -0.325405D+01 -0.839317D+01  0.554855D+01
                 6             7             8             9            10 
      1   0.422734D+01  0.123730D+02  0.396854D+01 -0.715017D+01  0.981036D+01
      2   0.797856D+01 -0.595810D+01  0.654565D+01 -0.149284D+01 -0.114192D+02
      3  -0.122059D+02 -0.641487D+01 -0.105142D+02  0.864301D+01  0.160880D+01
      4   0.499376D+01  0.587748D+01  0.418442D+01  0.521909D+01 -0.394906D+01
      5   0.135539D+01 -0.874822D+01  0.330811D+01 -0.482208D+01 -0.107866D+02
      6  -0.689386D+01 -0.205627D+01 -0.502259D+01 -0.772372D+01 -0.541534D+01
                11            12            13            14            15 
      1   0.256848D+00 -0.882653D+01  0.353490D+01 -0.995569D+01 -0.166159D+01
      2  -0.809264D+00  0.336415D+01 -0.272609D+01 -0.393730D+00 -0.352215D+01
      3   0.552416D+00  0.546239D+01 -0.808809D+00  0.103494D+02  0.518374D+01
      4  -0.142784D+02 -0.489440D+01 -0.141629D+02 -0.845702D+01 -0.107987D+02
      5  -0.294426D+01 -0.133270D+01 -0.103791D+01 -0.121382D+02 -0.694770D+01
      6  -0.498937D+01 -0.667069D+00 -0.496951D+01 -0.479028D+01 -0.306405D+01
                16            17            18            19            20 
      1  -0.100195D+02 -0.132278D+01  0.249438D+01 -0.676754D+01 -0.702923D+01
      2   0.369919D+01 -0.184707D+01 -0.218897D+01  0.677955D+01  0.846263D+01
      3   0.632027D+01  0.316986D+01 -0.305412D+00 -0.120094D-01 -0.143340D+01
      4  -0.262271D+01 -0.874190D+01 -0.104319D+02  0.523611D+01  0.212729D+00
      5  -0.249010D+01 -0.968193D+01  0.764256D+01  0.841118D+00 -0.120063D+01
      6  -0.206572D+01 -0.511376D+01 -0.127332D+00  0.422171D+01  0.502660D+01
                21            22            23            24            25 
      1  -0.271803D+00 -0.296139D+01  0.331912D+01 -0.336816D+01  0.449107D+01
      2   0.394721D+00  0.371462D+01 -0.584448D+00 -0.465620D+01  0.603772D+00
      3  -0.122917D+00 -0.753226D+00 -0.273468D+01  0.802436D+01 -0.509484D+01
      4   0.680840D+00 -0.448253D+01  0.977760D+01  0.101364D+01 -0.105683D+01
      5  -0.953184D+00 -0.140490D+01  0.269728D+01  0.488968D+01  0.237473D+01
      6   0.395522D+01  0.961908D+00 -0.625757D-01 -0.729645D+01 -0.511570D+00
                26            27            28            29            30 
      1  -0.595023D+01  0.725818D+01 -0.526616D+01  0.186345D+01 -0.512903D+00
      2  -0.137018D+01  0.128197D+02  0.178840D+01 -0.207477D+01  0.732891D+01
      3   0.732041D+01 -0.200779D+02  0.347776D+01  0.211315D+00 -0.681600D+01
      4   0.458520D+01 -0.253432D+01  0.354287D+01  0.298064D+01  0.147158D+01
      5  -0.857008D+00 -0.110937D+01 -0.702623D+01  0.349988D+01 -0.182295D+01
      6   0.316367D+01  0.573488D+01 -0.155062D+01 -0.214821D+01  0.232356D+01
                31            32            33            34            35 
      1   0.722291D+01  0.186891D+02  0.105977D+01 -0.117696D+02  0.550719D+01
      2  -0.762661D+01 -0.345945D+02 -0.137135D+01  0.961956D+01 -0.128928D+01
      3   0.403700D+00  0.159055D+02  0.311586D+00  0.215004D+01 -0.421791D+01
      4  -0.146764D+02 -0.174921D+02  0.309490D+01  0.417405D+01 -0.502998D-01
      5   0.598665D+01  0.588530D+01 -0.445648D+00  0.421740D+00  0.158035D+01
      6   0.126966D+00  0.219593D+01 -0.113747D+02 -0.796959D+00  0.123276D+01
                36            37            38            39            40 
      1  -0.109738D+01  0.358566D+02 -0.204234D+01  0.724228D+01  0.211824D+01
      2  -0.175104D+01 -0.238568D+02  0.163546D+01 -0.979257D+01 -0.123969D+01
      3   0.284842D+01 -0.119997D+02  0.406887D+00  0.255029D+01 -0.878552D+00
      4   0.115263D+01 -0.241357D+01  0.772488D+01  0.159246D+00  0.135974D+02
      5  -0.837531D+01  0.141876D+02 -0.136242D+01  0.143000D+02  0.234068D+01
      6  -0.844359D+00  0.637254D+00  0.918940D+00 -0.260755D+01  0.745505D+00
                41            42            43            44            45 
      1   0.596066D+01  0.404363D+01  0.112918D+02 -0.512266D+00  0.310337D+01
      2  -0.182282D+01 -0.326635D+01 -0.113805D+02  0.103811D+01 -0.156010D+02
      3  -0.413784D+01 -0.777287D+00  0.886822D-01 -0.525844D+00  0.124977D+02
      4   0.102915D+02  0.604826D+01 -0.276740D+01  0.346907D+01 -0.843177D+00
      5   0.625597D+01  0.284165D+01  0.158547D+02 -0.197539D+01  0.178486D+02
      6  -0.159445D+01  0.568797D+01  0.405615D+00  0.440768D+01 -0.118622D+00
                46            47            48            49            50 
      1  -0.363234D+02  0.501449D+01  0.165823D+02 -0.165259D+01  0.153192D+02
      2   0.195366D+02 -0.957411D+01 -0.936674D+01 -0.549772D+01 -0.883852D+01
      3   0.167868D+02  0.455962D+01 -0.721556D+01  0.715031D+01 -0.648070D+01
      4   0.483715D+01  0.117975D+02 -0.201005D+01  0.126824D+02 -0.295929D+01
      5   0.124365D+02  0.476948D+00 -0.275286D-01  0.121637D+01  0.949885D+01
      6  -0.493986D+01 -0.202053D-01  0.386431D+00  0.869470D+00 -0.459273D+01
                51            52            53            54            55 
      1   0.316843D+01  0.203772D+02  0.157745D+01  0.406363D+01  0.106573D+02
      2  -0.877428D+01 -0.936037D+01 -0.832210D+01  0.585067D+01 -0.505273D+01
      3   0.560585D+01 -0.110169D+02  0.674465D+01 -0.991430D+01 -0.560460D+01
      4   0.601361D+01 -0.182418D+01  0.447985D+01  0.896317D+01 -0.382446D+01
      5   0.890679D+01 -0.325911D+01  0.101243D+02 -0.249936D+02  0.495524D+01
      6  -0.340847D+01  0.188731D+01 -0.372464D+01  0.118914D+02 -0.762522D+01
                56            57            58            59            60 
      1   0.114166D+02  0.219187D+01  0.801466D+01  0.210491D+01  0.221348D+01
      2  -0.197840D+02 -0.589032D+01 -0.149971D+02  0.379608D+01 -0.341082D+01
      3   0.836742D+01  0.369844D+01  0.698241D+01 -0.590099D+01  0.119734D+01
      4   0.276211D+01 -0.453741D+01  0.650681D+01 -0.176692D+02  0.246709D+01
      5  -0.297285D+01 -0.613789D+00 -0.206086D+01 -0.204299D+01 -0.477520D+00
      6  -0.261452D+01  0.597785D+01 -0.779235D+00 -0.519208D+01  0.440030D+01
                61            62            63            64            65 
      1  -0.386183D+00  0.255800D+01 -0.426665D+01  0.274966D+01  0.665952D+01
      2  -0.350487D+01 -0.449312D+01 -0.898759D+00  0.503257D+01 -0.258431D+01
      3   0.389105D+01  0.193512D+01  0.516540D+01 -0.778223D+01 -0.407522D+01
      4  -0.609663D+01  0.457577D+01  0.949028D+01  0.633857D+01  0.155062D+02
      5  -0.560323D+01  0.473359D+01  0.907588D+01 -0.130120D+01 -0.219380D+01
      6   0.109774D+02 -0.240496D+01 -0.594229D+01 -0.923896D+00 -0.153510D+01
                66            67            68            69            70 
      1   0.465731D+00  0.277410D+01 -0.350196D+02  0.236856D+01  0.499079D+00
      2  -0.141703D+01  0.211751D+01  0.645975D+02 -0.222303D+01 -0.199146D+01
      3   0.951294D+00 -0.489160D+01 -0.295779D+02 -0.145537D+00  0.149238D+01
      4  -0.192821D+01  0.212832D+02  0.325532D+02 -0.329596D+01 -0.197566D+01
      5   0.415506D+01 -0.153108D+01 -0.714748D+01  0.677856D+01  0.440540D+01
      6   0.615572D+00 -0.146473D+01 -0.372890D+01  0.181132D+02  0.169377D+01
                71            72            73            74            75 
      1  -0.185083D+00 -0.753621D+01  0.682795D+00  0.421170D+00 -0.668737D+00
      2  -0.130742D+01  0.626084D+01 -0.468315D+01 -0.556363D-02 -0.820569D+00
      3   0.149250D+01  0.127537D+01  0.400035D+01 -0.415606D+00  0.148931D+01
      4  -0.212896D+01  0.653171D+01 -0.121471D+00  0.159816D+01 -0.724252D+00
      5   0.730776D+01 -0.238270D+01  0.958419D+00 -0.155612D+01  0.619581D+01
      6   0.152804D+02 -0.233657D+01 -0.199436D+01  0.296422D-01 -0.145879D+00
                76            77            78            79            80 
      1   0.281808D+00 -0.401946D+01  0.453191D+01 -0.383004D+00  0.311407D+01
      2   0.731383D+00 -0.105327D+01  0.401607D+01 -0.180587D+01  0.485936D+01
      3  -0.101319D+01  0.507273D+01 -0.854798D+01  0.218888D+01 -0.797342D+01
      4   0.222602D+01  0.350367D+00 -0.100287D+00 -0.101868D+00 -0.200246D+01
      5  -0.123334D+01  0.264432D+00 -0.271413D+00  0.521963D+01  0.958235D-01
      6   0.835510D+00 -0.423282D+01  0.809778D+01 -0.104669D+01  0.624791D+01
                81            82            83            84            85 
      1  -0.176396D+02  0.988969D+01  0.465158D+01  0.477221D+01  0.430811D+01
      2  -0.182462D+02 -0.248146D+01 -0.446899D-01 -0.189957D+01  0.133170D+01
      3   0.358858D+02 -0.740824D+01 -0.460689D+01 -0.287264D+01 -0.563981D+01
      4   0.838778D+00  0.118938D+02  0.137902D+02  0.568018D+01  0.142631D+02
      5  -0.225743D+00  0.812364D+01  0.496753D+01  0.766396D+01  0.513847D+01
      6  -0.563323D+01  0.429031D+01  0.391913D+01  0.366240D+01  0.425069D+01
                86            87            88            89            90 
      1  -0.993012D+00 -0.980800D-01  0.427701D+01 -0.132194D+01 -0.743823D+00
      2   0.107890D+02  0.342084D+01 -0.235066D+01  0.219920D+01 -0.129444D+01
      3  -0.979602D+01 -0.332276D+01 -0.192635D+01 -0.877260D+00  0.203826D+01
      4   0.205835D+02  0.862906D+01  0.530635D+01  0.879276D+01  0.860609D+01
      5   0.805354D+01  0.776219D+01  0.812800D+01  0.784877D+01  0.828459D+01
      6   0.101971D+02  0.847982D+01  0.392860D+01  0.916252D+01  0.773190D+01
                91            92            93            94            95 
      1   0.313978D+01 -0.312658D+01  0.111686D+00 -0.107287D+02 -0.312210D+01
      2  -0.383878D+00  0.547768D+00  0.183226D+01  0.661925D+01  0.267658D+01
      3  -0.275591D+01  0.257881D+01 -0.194395D+01  0.410949D+01  0.445526D+00
      4  -0.542272D+01  0.143562D+01 -0.216398D+01  0.744228D+00 -0.160610D+02
      5  -0.475679D+00 -0.218458D+01 -0.132502D+00 -0.722364D+01 -0.119331D+01
      6  -0.930741D+00  0.193773D+01 -0.130497D+01  0.305255D+01 -0.189178D+01
                96            97            98            99           100 
      1  -0.473439D+01 -0.247177D+01 -0.801645D+00 -0.163606D+01 -0.480224D+01
      2   0.580230D+01  0.208965D+01 -0.826873D-01  0.167380D+01  0.818658D+01
      3  -0.106792D+01  0.382127D+00  0.884333D+00 -0.377443D-01 -0.338433D+01
      4  -0.431921D-01 -0.350581D+01  0.331458D+00 -0.316494D+01  0.774843D+01
      5  -0.799592D+01  0.628033D+00 -0.307516D+01  0.100671D+01  0.319761D+01
      6   0.243447D+01 -0.107009D+00  0.291734D+01 -0.324350D+01  0.220159D+01
               101           102           103           104           105 
      1  -0.121263D+02 -0.249518D+01 -0.782431D+01 -0.203762D+02 -0.467930D+01
      2   0.185009D+02  0.162347D+01  0.107096D+02  0.309295D+02  0.390140D+01
      3  -0.637455D+01  0.871703D+00 -0.288533D+01 -0.105533D+02  0.777893D+00
      4   0.738315D+01  0.333955D+00  0.762003D+01  0.544288D+01  0.218453D+00
      5   0.239682D+01  0.744507D+00  0.275584D+01  0.200882D+01 -0.683186D+00
      6   0.738511D+01  0.392789D+01  0.374937D+01  0.121128D+02  0.773967D+01
               106           107           108           109           110 
      1   0.123008D+01 -0.145341D+01 -0.134093D+01  0.417900D+01  0.163517D+01
      2  -0.571612D+00  0.130717D+01  0.990517D+00 -0.449222D+01 -0.204428D+01
      3  -0.658465D+00  0.146232D+00  0.350409D+00  0.313228D+00  0.409107D+00
      4  -0.112254D+00 -0.226075D+00  0.248082D+00 -0.120084D+02  0.813450D+01
      5   0.223446D+01  0.144005D+00  0.534382D+00 -0.129420D+02  0.655389D+01
      6  -0.194391D+00  0.450447D+01  0.154962D+01  0.102642D+02 -0.837226D+01
               111           112           113           114           115 
      1   0.347890D+00  0.110957D+01 -0.388153D+01 -0.286040D+01  0.505313D-01
      2   0.401744D+01 -0.198452D+01  0.453129D+01  0.285429D+01  0.433340D+01
      3  -0.436533D+01  0.874954D+00 -0.649761D+00  0.611334D-02 -0.438393D+01
      4   0.878672D+01  0.579125D+01 -0.502337D+01 -0.424831D+01  0.106717D+02
      5   0.129357D+02  0.260674D+01 -0.429551D+01 -0.306490D+01  0.139108D+02
      6  -0.133451D+02 -0.477572D+01  0.697594D+01  0.806610D+01 -0.121662D+02
               116           117           118           119           120 
      1  -0.469669D+01 -0.439153D+01  0.660264D+02 -0.600022D+01 -0.994349D+01
      2   0.272037D+01 -0.436211D+01 -0.326875D+02  0.996590D+00  0.500350D+01
      3   0.197632D+01  0.875364D+01 -0.333389D+02  0.500363D+01  0.493999D+01
      4  -0.702130D+01 -0.105732D+02 -0.169811D+02  0.110558D+02  0.207087D+01
      5  -0.709410D+01 -0.143346D+02 -0.554047D+01  0.342589D-01  0.109392D+02
      6   0.121664D+02  0.163394D+02  0.310646D+01  0.458892D-01 -0.337604D+01
               121           122           123           124           125 
      1   0.360498D+01  0.429913D+01 -0.809970D+00 -0.171215D+02  0.172323D+01
      2  -0.332141D+01 -0.485277D+00  0.145295D+01  0.891619D+01  0.694694D+00
      3  -0.283569D+00 -0.381385D+01 -0.642983D+00  0.820528D+01 -0.241792D+01
      4   0.763831D+01 -0.105695D+01 -0.263373D+01  0.512851D+01 -0.445182D+01
      5  -0.145514D+00 -0.227962D+01  0.480826D+00  0.101505D+02 -0.174698D+01
      6  -0.290962D+00  0.782333D+00  0.128306D+01 -0.261315D+01  0.165756D+01
               126           127           128           129           130 
      1   0.725806D+01 -0.139803D+01 -0.539870D+01 -0.384231D+01 -0.777551D+01
      2  -0.558052D+01  0.271784D+01  0.674074D+01  0.276393D+01  0.632182D+01
      3  -0.167754D+01 -0.131981D+01 -0.134204D+01  0.107839D+01  0.145370D+01
      4  -0.257315D+01  0.174892D+01 -0.323349D+01  0.646560D+00  0.332585D+01
      5  -0.409944D+01 -0.265852D+01 -0.975060D+00 -0.217878D+01 -0.188896D+01
      6   0.645403D+00  0.167384D+01  0.924701D+00  0.239151D+01  0.740287D+00
               131           132           133           134           135 
      1  -0.148355D+02 -0.447923D+01 -0.603528D+01 -0.425558D+01 -0.521134D+01
      2   0.243845D+02  0.703790D+01  0.312123D+01  0.758817D+01  0.329284D+01
      3  -0.954902D+01 -0.255868D+01  0.291405D+01 -0.333259D+01  0.191850D+01
      4  -0.147206D+02 -0.326318D+01  0.259481D+01 -0.647429D+01 -0.356460D+01
      5  -0.512578D+01 -0.664083D+01  0.344161D+00 -0.511051D+01 -0.175861D+01
      6   0.414437D+01  0.638259D+01  0.628378D+00  0.606630D+01  0.325179D+01
               136           137           138           139           140 
      1   0.552748D+01 -0.190985D+01  0.323746D+01 -0.412151D+00 -0.454124D+01
      2  -0.471161D+01  0.139968D+01 -0.228965D+01  0.517820D+00  0.308118D+01
      3  -0.815873D+00  0.510169D+00 -0.947806D+00 -0.105669D+00  0.146007D+01
      4  -0.286484D+01  0.154427D+01 -0.269445D+01  0.261457D+01 -0.479143D+01
      5   0.462146D+01 -0.213747D+01  0.770634D+01 -0.228914D+01  0.509677D+01
      6  -0.170930D+01  0.816490D+00 -0.154990D+01  0.168921D+01 -0.492022D+01
               141           142           143           144           145 
      1   0.220778D+01  0.624099D+01  0.232408D+01 -0.911099D+01  0.326970D+02
      2  -0.103159D+01 -0.565992D+01 -0.414624D+00 -0.131542D+02 -0.223853D+02
      3  -0.117618D+01 -0.581067D+00 -0.190946D+01  0.222652D+02 -0.103117D+02
      4   0.545638D+01 -0.652487D+01  0.890697D+01 -0.885172D+01  0.151038D+02
      5  -0.660454D+01  0.132291D+02 -0.105887D+02  0.356198D+02 -0.328803D+02
      6   0.936396D+01 -0.367728D+01  0.105635D+02 -0.185959D+02 -0.680120D+01
               146           147           148           149           150 
      1   0.292215D+01 -0.901999D+01  0.242059D+01  0.953263D+00 -0.405816D+00
      2  -0.117526D+01  0.127967D+02 -0.917949D+00  0.436213D-01 -0.511322D+00
      3  -0.174688D+01 -0.377675D+01 -0.150264D+01 -0.996884D+00  0.917139D+00
      4   0.945586D+01 -0.760346D+01  0.767803D+01  0.399594D+01 -0.421704D+01
      5  -0.578898D+01  0.227959D+02 -0.354467D+01 -0.429357D+01  0.212696D+01
      6  -0.540451D+01  0.615647D+01 -0.341293D+01 -0.305331D+01  0.469170D+01
               151           152           153           154           155 
      1  -0.560376D+01 -0.530314D+00  0.369857D+01 -0.386865D+01  0.811095D+01
      2   0.858489D+01  0.249504D+00 -0.937163D+01  0.338021D+01 -0.808310D+01
      3  -0.298112D+01  0.280811D+00  0.567306D+01  0.488441D+00 -0.278547D-01
      4  -0.477859D+01 -0.326349D+01  0.397910D+01 -0.119278D+01  0.840466D+00
      5   0.167333D+02  0.270982D+01 -0.139721D+02  0.147423D+01 -0.279405D+01
      6   0.424964D+01  0.410070D+01 -0.371578D+01 -0.452565D+01  0.835088D+01
               156           157           158           159           160 
      1  -0.655476D+01  0.755717D+01 -0.196535D+02  0.833337D+01 -0.357551D+01
      2   0.136189D+01 -0.748991D+01  0.219747D+02 -0.348607D+01  0.892495D+00
      3   0.519286D+01 -0.672600D-01 -0.232115D+01 -0.484730D+01  0.268302D+01
      4  -0.308188D+00  0.282514D+01  0.643063D+01 -0.373577D+01 -0.822171D+00
      5   0.164069D+01 -0.483348D+01  0.498053D+00  0.229277D+01  0.300997D+01
      6  -0.515243D+01  0.541554D+01 -0.192796D+02  0.128027D+02 -0.343383D+01
               161           162           163           164           165 
      1   0.584888D+01 -0.685789D+01 -0.163993D+01 -0.117316D+01 -0.690603D+01
      2  -0.278873D+01  0.184629D+01 -0.196669D+01 -0.216197D+01 -0.189520D+01
      3  -0.306015D+01  0.501160D+01  0.360662D+01  0.333513D+01  0.880123D+01
      4  -0.155169D+01  0.191995D+00  0.195909D+00 -0.958993D+00 -0.136291D+01
      5  -0.154889D+00  0.459543D+00  0.902310D+00  0.163493D+01  0.257617D+01
      6   0.100063D+02 -0.634893D+01  0.184104D+01  0.484835D+01  0.200606D+01
               166           167           168           169           170 
      1  -0.277048D+01 -0.753073D+01 -0.815651D+01 -0.482266D+01 -0.469065D+01
      2  -0.542450D+00  0.162936D+00 -0.601284D+01 -0.635011D+00 -0.438618D+01
      3   0.331293D+01  0.736779D+01  0.141693D+02  0.545767D+01  0.907683D+01
      4  -0.711986D+00 -0.562159D+01 -0.356198D+01 -0.156396D+01 -0.341321D+01
      5   0.372088D+01  0.194840D-01 -0.430314D+01  0.462208D+01 -0.322211D+00
      6   0.368622D+01  0.100305D+02  0.788162D+01  0.214399D+01  0.790910D+01
               171 
      1  -0.981852D+01
      2  -0.771788D+01
      3   0.175364D+02
      4  -0.268385D+01
      5  -0.236156D+01
      6   0.613458D+01
 Leave Link  716 at Mon Aug 16 21:41:13 2021, MaxMem=  5637144576 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.811660D+02 -0.275438D+01  0.203697D+01
      2  -0.275438D+01  0.831208D+02 -0.135126D+01
      3   0.203697D+01 -0.135126D+01  0.733874D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.172618D+01  0.176729D+01  0.812213D+01
      2   0.109012D+02  0.211375D+01 -0.272043D+02
      3  -0.101975D+02  0.133122D+02 -0.175600D+00
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.759012D+02  0.117876D+02  0.215084D+02
      2   0.423322D+02 -0.837738D+01 -0.159593D+02
      3   0.335690D+02 -0.341018D+01 -0.554906D+01
      4  -0.115331D+02 -0.255546D+02  0.123276D+02
      5   0.160587D+02  0.943316D+01 -0.528034D+02
      6   0.116806D+02 -0.119038D+02 -0.218133D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.501425D+01  0.145707D+01 -0.390221D+01  0.112446D+01 -0.340067D+01
      2   0.145707D+01 -0.341305D+01 -0.695548D+00 -0.340067D+01  0.153589D+01
      3  -0.390221D+01 -0.695548D+00  0.173150D+00 -0.456736D+00 -0.273711D+01
                 6             7             8             9            10 
      1  -0.456736D+00 -0.310295D+01 -0.550001D+00 -0.151988D+00 -0.430056D+01
      2  -0.273711D+01 -0.550001D+00 -0.208394D+01 -0.222058D+01 -0.116155D+00
      3  -0.174086D+01 -0.151988D+00 -0.222058D+01  0.231643D+01  0.301472D+01
                11            12            13            14            15 
      1  -0.116155D+00  0.301472D+01  0.924186D+00  0.418178D+01  0.747056D+00
      2   0.363294D+01  0.860217D+00  0.418178D+01  0.145711D+01  0.296854D+01
      3   0.860217D+00  0.332634D+00  0.747056D+00  0.296854D+01  0.276547D+01
                16            17            18            19            20 
      1   0.426580D+01  0.940408D+00  0.296199D+00  0.398193D+01 -0.686834D-01
      2   0.940408D+00  0.284451D+01  0.343354D+01 -0.686834D-01 -0.189195D+01
      3   0.296199D+00  0.343354D+01 -0.339508D+01 -0.182268D+01 -0.123246D+01
                21            22            23            24            25 
      1  -0.182268D+01  0.251643D+00 -0.263128D+01 -0.956274D+00 -0.210979D+01
      2  -0.123246D+01 -0.263128D+01  0.391736D+00  0.167678D+00 -0.141800D+01
      3   0.521444D+00 -0.956274D+00  0.167678D+00 -0.228925D+01  0.989673D+00
                26            27            28            29            30 
      1  -0.141800D+01  0.989673D+00  0.929233D-01  0.779205D+00  0.707818D-01
      2  -0.458292D+00 -0.307601D+01  0.779205D+00  0.230032D+01  0.113968D+01
      3  -0.307601D+01  0.409889D+01  0.707818D-01  0.113968D+01  0.460408D+00
                31            32            33            34            35 
      1  -0.828338D+00  0.124043D+00  0.807087D+00 -0.851127D+00  0.129836D+01
      2   0.124043D+00 -0.571994D+01  0.119550D+01  0.129836D+01  0.221027D+01
      3   0.807087D+00  0.119550D+01  0.747858D+00 -0.303357D+00  0.130848D+01
                36            37            38            39            40 
      1  -0.303357D+00  0.543879D+01 -0.905312D+00  0.200198D+01  0.532025D+00
      2   0.130848D+01 -0.905312D+00  0.316773D+00 -0.174398D-01  0.197233D+01
      3  -0.248149D+00  0.200198D+01 -0.174398D-01  0.126043D+01  0.109458D+01
                41            42            43            44            45 
      1   0.197233D+01  0.109458D+01  0.263313D+01 -0.600497D-01  0.222462D+01
      2   0.378166D+01  0.195528D+01 -0.600497D-01  0.463171D+00 -0.619946D+00
      3   0.195528D+01  0.984841D+00  0.222462D+01 -0.619946D+00  0.345318D+01
                46            47            48            49            50 
      1   0.558810D+01  0.285298D+00 -0.281013D+01  0.878008D+00 -0.310920D+01
      2   0.285298D+00 -0.305864D+01 -0.371218D+00 -0.310920D+01 -0.734837D+00
      3  -0.281013D+01 -0.371218D+00  0.318340D+00 -0.572929D+00 -0.189998D+01
                51            52            53            54            55 
      1  -0.572929D+00 -0.334313D+01 -0.400246D+00  0.993830D+00  0.959175D+00
      2  -0.189998D+01 -0.400246D+00 -0.154989D+01 -0.269918D+01  0.609306D+00
      3  -0.204476D+01  0.993830D+00 -0.269918D+01  0.595419D+01  0.185925D+01
                56            57            58            59            60 
      1   0.609306D+00  0.185925D+01  0.293412D+00  0.330647D+01  0.103485D-01
      2   0.346179D+01  0.236442D+00  0.330647D+01 -0.297775D+00  0.886415D+00
      3   0.236442D+00 -0.189848D+01  0.103485D-01  0.886415D+00  0.588786D+00
                61            62            63            64            65 
      1   0.284745D+01 -0.881199D+00 -0.235004D+01 -0.115001D+01  0.282911D+01
      2  -0.881199D+00  0.176088D+01  0.838802D+00  0.282911D+01  0.147747D+00
      3  -0.235004D+01  0.838802D+00  0.167428D+01 -0.497131D+00 -0.475411D+00
                66            67            68            69            70 
      1  -0.497131D+00  0.389283D+01  0.107313D+01  0.142549D-01 -0.296532D+00
      2  -0.475411D+00  0.107313D+01  0.133557D+02 -0.134971D+01 -0.483122D+00
      3  -0.362439D+00  0.142549D-01 -0.134971D+01  0.203965D+01  0.216155D+00
                71            72            73            74            75 
      1  -0.483122D+00  0.216155D+00 -0.119781D+01  0.468918D+00 -0.828519D+00
      2  -0.923876D+00  0.262532D+01  0.468918D+00 -0.140832D-01  0.162522D+00
      3   0.262532D+01 -0.855088D+00 -0.828519D+00  0.162522D+00 -0.393792D+00
                76            77            78            79            80 
      1   0.720479D+00  0.115129D+00  0.163401D+00 -0.137807D+01  0.509067D+00
      2   0.115129D+00  0.114699D+01 -0.156864D+01  0.509067D+00 -0.197363D+01
      3   0.163401D+00 -0.156864D+01  0.194830D+01 -0.133706D+00  0.172193D+01
                81            82            83            84            85 
      1  -0.133706D+00 -0.221408D+01 -0.157282D+01 -0.161302D+01 -0.238392D+01
      2   0.172193D+01 -0.157282D+01 -0.231934D+01 -0.750700D+00 -0.237962D+01
      3  -0.752672D+01 -0.161302D+01 -0.750700D+00 -0.131418D+01 -0.752144D+00
                86            87            88            89            90 
      1  -0.237962D+01 -0.752144D+00 -0.223997D+01 -0.753637D+00 -0.119478D+01
      2  -0.494359D+01 -0.205804D+01 -0.753637D+00 -0.233064D+01 -0.207239D+01
      3  -0.205804D+01 -0.220088D+01 -0.119478D+01 -0.207239D+01 -0.191908D+01
                91            92            93            94            95 
      1   0.119277D+01 -0.835139D+00  0.741317D-01 -0.244364D+01 -0.169203D+00
      2  -0.835139D+00 -0.331085D-01 -0.602907D+00 -0.169203D+00 -0.511414D+01
      3   0.741317D-01 -0.602907D+00  0.136378D+00 -0.166969D+01 -0.614967D+00
                96            97            98            99           100 
      1  -0.166969D+01  0.105559D+00 -0.688230D+00  0.475191D-01 -0.224446D+01
      2  -0.614967D+00 -0.688230D+00 -0.219329D+00 -0.947946D+00 -0.171177D+01
      3  -0.228681D+01  0.475191D-01 -0.947946D+00  0.834401D+00 -0.150073D-01
               101           102           103           104           105 
      1  -0.171177D+01 -0.150073D-01 -0.216521D+01 -0.194249D+01 -0.300429D+00
      2  -0.403682D+01 -0.691992D+00 -0.194249D+01 -0.635832D+01 -0.121726D+01
      3  -0.691992D+00 -0.728604D+00 -0.300429D+00 -0.121726D+01 -0.136511D+01
               106           107           108           109           110 
      1   0.238599D+00  0.437179D-01  0.123776D+00  0.348239D+01 -0.158319D+01
      2   0.437179D-01 -0.389820D+00 -0.593455D+00 -0.158319D+01  0.178059D+01
      3   0.123776D+00 -0.593455D+00 -0.210408D+00 -0.226815D+01  0.128965D+01
               111           112           113           114           115 
      1  -0.226815D+01 -0.689456D+00  0.961228D+00  0.562841D+00 -0.306801D+01
      2   0.128965D+01  0.961228D+00 -0.145570D+01 -0.109916D+01  0.146927D+01
      3   0.318457D+01  0.562841D+00 -0.109916D+01 -0.980652D+00  0.284775D+01
               116           117           118           119           120 
      1   0.146927D+01  0.284775D+01 -0.975594D+01  0.131102D+01  0.152462D+01
      2  -0.201102D+01 -0.201414D+01  0.131102D+01 -0.124701D+01  0.159518D-02
      3  -0.201414D+01 -0.370148D+01  0.152462D+01  0.159518D-02 -0.160854D+01
               121           122           123           124           125 
      1  -0.555042D+00 -0.715364D+00  0.537523D-01  0.279782D+01 -0.449585D+00
      2  -0.715364D+00  0.152227D+00  0.475176D+00 -0.449585D+00  0.808004D+00
      3   0.537523D-01  0.475176D+00 -0.715855D-01 -0.153297D+01  0.365334D+00
               126           127           128           129           130 
      1  -0.153297D+01  0.136598D+01  0.642660D+00  0.751584D+00  0.163039D+01
      2   0.365334D+00  0.642660D+00  0.183128D+01  0.381756D+00  0.586879D+00
      3   0.508666D+00  0.751584D+00  0.381756D+00  0.776699D+00  0.356005D+00
               131           132           133           134           135 
      1   0.586879D+00  0.356005D+00  0.126686D+01  0.651311D-01  0.183056D+00
      2   0.513566D+01  0.124269D+01  0.651311D-01  0.219386D+01  0.145479D+01
      3   0.124269D+01  0.165615D+01  0.183056D+00  0.145479D+01  0.751113D+00
               136           137           138           139           140 
      1  -0.105983D+01  0.347482D+00 -0.873594D+00  0.193633D+00 -0.113653D+00
      2   0.347482D+00  0.147890D+00  0.180048D+00 -0.113653D+00  0.122266D+01
      3  -0.873594D+00  0.180048D+00 -0.586501D+00  0.357425D+00 -0.120278D+01
               141           142           143           144           145 
      1   0.357425D+00 -0.187750D+01  0.856228D+00 -0.159015D+01 -0.751367D+01
      2  -0.120278D+01  0.856228D+00 -0.204554D+01  0.237978D+01 -0.116583D+01
      3   0.141844D+01 -0.159015D+01  0.237978D+01 -0.803179D+01  0.349974D+01
               146           147           148           149           150 
      1  -0.116583D+01  0.349974D+01 -0.885392D+00 -0.755820D+00  0.419597D+00
      2  -0.116829D+01  0.781807D+00 -0.755820D+00 -0.786588D+00  0.885161D+00
      3   0.781807D+00 -0.320665D+01  0.419597D+00  0.885161D+00 -0.178466D+00
               151           152           153           154           155 
      1   0.229164D+01  0.418094D+00 -0.204257D+01  0.131181D+01 -0.149517D+01
      2   0.418094D+00  0.668720D+00 -0.249118D+00 -0.149517D+01  0.221634D+01
      3  -0.204257D+01 -0.249118D+00  0.202289D+01  0.776609D+00 -0.717406D+00
               156           157           158           159           160 
      1   0.776609D+00 -0.192280D+01  0.178254D+01 -0.261539D+00  0.644085D+00
      2  -0.717406D+00  0.178254D+01 -0.546498D+01  0.217077D+01 -0.351051D+00
      3   0.139290D+01 -0.261539D+00  0.217077D+01 -0.218736D+01  0.704868D+00
               161           162           163           164           165 
      1  -0.351051D+00  0.704868D+00  0.100823D+01  0.723996D+00  0.105702D+01
      2   0.141519D+01 -0.113253D+01  0.723996D+00  0.134662D+01  0.521366D+00
      3  -0.113253D+01  0.107724D+01  0.105702D+01  0.521366D+00  0.154225D+01
               166           167           168           169           170 
      1   0.143274D+01  0.111377D+01  0.383397D+00  0.117613D+01  0.434855D+00
      2   0.111377D+01  0.269627D+01  0.180044D+01  0.434855D+00  0.162139D+01
      3   0.383397D+00  0.180044D+01  0.319623D+01  0.672122D+00  0.149731D+01
               171 
      1   0.672122D+00
      2   0.149731D+01
      3   0.319652D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.415818D+00 -0.713846D+01 -0.104663D+01 -0.634107D+01  0.194113D+01
      2  -0.258547D+01 -0.261844D+01  0.106238D+02 -0.197512D+01  0.102224D+02
      3  -0.191952D+01 -0.830355D+01  0.216428D+01 -0.407241D+01  0.460709D+01
                 6             7             8             9            10 
      1  -0.100051D+02 -0.112080D+01 -0.408914D+01 -0.359441D+00  0.145339D+01
      2   0.351665D+01  0.416438D+01  0.412258D+01 -0.369681D+01 -0.762883D+01
      3  -0.355354D+01  0.145632D+01 -0.243133D+01 -0.309733D+01  0.219959D+01
                11            12            13            14            15 
      1   0.677101D-03  0.368297D-01  0.515130D-01  0.473452D+00 -0.323660D+01
      2  -0.205774D+01  0.378027D+01  0.150630D+01 -0.231204D+01 -0.301052D+01
      3   0.308347D+01  0.177281D+01  0.865509D+01 -0.103498D+01  0.343436D+01
                16            17            18            19            20 
      1  -0.118941D+01  0.225256D+01 -0.186192D+01 -0.179724D+01  0.170208D+01
      2  -0.140006D+01 -0.229375D+01  0.468394D+01  0.113858D+01  0.362117D+00
      3  -0.117779D+01  0.263924D+01  0.387525D+01 -0.559347D+00 -0.346104D+01
                21            22            23            24            25 
      1  -0.112957D+01  0.411773D+01 -0.200650D+00  0.690723D+00  0.246686D+01
      2  -0.113207D+01 -0.705926D+00 -0.206746D+01  0.240916D+01 -0.708773D+01
      3   0.872700D-01  0.339646D+01 -0.669778D+00 -0.268482D+01  0.115811D+01
                26            27            28            29            30 
      1   0.385089D+01  0.276101D+01 -0.115672D+01 -0.443175D+01  0.300604D+00
      2  -0.151930D+01  0.318939D+01  0.119316D+02  0.412792D+01  0.247997D+01
      3  -0.905835D+00  0.178715D+00 -0.279086D+01 -0.761784D+01 -0.239665D+01
                31            32            33            34            35 
      1  -0.348714D+01  0.640662D+00  0.672079D+01  0.246626D+01  0.695466D+01
      2  -0.723920D+00  0.134410D+01 -0.571283D+00 -0.898809D+01 -0.244242D+01
      3  -0.594546D+01  0.781612D+01  0.200185D+01 -0.232238D+00  0.368113D+01
                36            37            38            39            40 
      1  -0.153255D+01 -0.904568D+00  0.384137D+01  0.845422D+00  0.279138D+01
      2  -0.908424D+01 -0.179118D+01 -0.124279D+01  0.526813D+01  0.297914D+00
      3  -0.130996D+00  0.220565D+01 -0.688357D+01  0.705808D+00 -0.169036D+01
                41            42            43            44            45 
      1   0.823470D+01  0.198681D-01 -0.960572D+00  0.498675D+01 -0.375305D+00
      2   0.340926D+01  0.302562D+01  0.205244D+01  0.935301D+00  0.897442D+01
      3  -0.126782D+02 -0.607976D+01 -0.178413D+01 -0.556238D+01  0.884642D+00
                46            47            48            49            50 
      1   0.304693D+01  0.250827D+01 -0.453208D+00  0.244924D+01  0.212103D+01
      2   0.982854D+01  0.108762D+01 -0.530839D+00  0.152561D+01  0.254874D+01
      3   0.798671D+01 -0.113049D+02 -0.436533D+01 -0.475610D+01 -0.634302D+01
                51            52            53            54            55 
      1   0.185234D+01 -0.239119D+01  0.705700D+01 -0.720864D+01  0.402656D+01
      2   0.459835D+01 -0.679490D+01  0.638709D+01 -0.130378D+02  0.316704D+01
      3  -0.535251D+01 -0.485878D+01 -0.466789D+01 -0.506942D+01 -0.367658D+01
                56            57            58            59            60 
      1  -0.338948D+01 -0.348735D+01 -0.343307D+01  0.376446D+01 -0.368608D+01
      2  -0.678542D+00  0.226071D+01 -0.872948D+00  0.424232D+01 -0.113623D+01
      3  -0.118798D+02 -0.442703D+01 -0.161379D+01 -0.665962D+01 -0.126810D+01
                61            62            63            64            65 
      1  -0.571865D+01  0.576404D+01  0.352892D+01  0.126567D+01  0.579606D+00
      2  -0.502435D+01  0.128736D+01  0.147896D+01 -0.346111D+01 -0.168148D+01
      3  -0.344428D+01 -0.747356D+00  0.431013D+01 -0.492928D+01  0.217484D+00
                66            67            68            69            70 
      1  -0.584523D+00 -0.110828D+01 -0.117422D+01 -0.124622D+02 -0.732209D+00
      2   0.140631D+01  0.312578D+01 -0.313953D+00  0.228975D+01 -0.146264D+01
      3   0.833935D+00  0.136703D+02 -0.154457D+02  0.174756D+01  0.817807D+00
                71            72            73            74            75 
      1  -0.117778D+00  0.553877D+00 -0.740185D+00  0.428147D+00 -0.160523D+00
      2   0.479283D+01  0.111214D+01 -0.145539D+01  0.676114D+00  0.127529D+00
      3  -0.202243D+00 -0.442133D+01  0.285379D+00 -0.507737D+00  0.487376D+00
                76            77            78            79            80 
      1  -0.190194D+00 -0.214111D+01  0.254848D+00 -0.978066D+00  0.474179D+01
      2   0.162710D+01 -0.593656D+00 -0.138159D+00 -0.385584D+01  0.841962D+00
      3   0.172305D+01  0.664607D-02  0.839871D+00 -0.314029D+00  0.120055D+00
                81            82            83            84            85 
      1  -0.145711D+01 -0.450953D+00  0.666843D+00 -0.129913D+01  0.458939D+00
      2  -0.100353D+00  0.877846D+00  0.465507D+00  0.248428D+01 -0.164285D+01
      3  -0.389985D+00 -0.325985D+00 -0.419874D+01 -0.186920D+00  0.141018D+01
                86            87            88            89            90 
      1   0.112652D+01 -0.256893D+01 -0.321919D+00  0.150908D+01 -0.733460D+00
      2   0.124616D+01  0.353225D+01 -0.165842D+01  0.219220D+01  0.215611D+01
      3  -0.633884D+01 -0.275357D+01  0.176019D+01 -0.322220D+01 -0.229266D+01
                91            92            93            94            95 
      1  -0.700004D-02 -0.257817D+01  0.266698D+00 -0.235096D+01 -0.104698D+02
      2   0.198868D+01 -0.922229D-01  0.639224D-01 -0.807038D+00 -0.180057D+01
      3   0.159074D+00  0.110779D+01  0.957942D+00  0.274937D+01  0.168725D+02
                96            97            98            99           100 
      1  -0.334912D+01 -0.632167D+00 -0.103787D+01  0.117972D+01  0.951308D+00
      2  -0.503564D+01 -0.911069D+00 -0.252840D+01  0.286916D-01 -0.187525D+01
      3   0.417536D+01  0.570557D+00  0.337296D+01  0.240416D+01  0.883459D+01
               101           102           103           104           105 
      1   0.202261D+01 -0.227939D+01  0.311085D+00  0.240794D+01 -0.324365D+01
      2  -0.803233D+00  0.609322D+00 -0.165262D+01 -0.178361D+01 -0.318041D+00
      3   0.585042D+01  0.342809D+00  0.787656D+01  0.947751D+01  0.223739D+01
               106           107           108           109           110 
      1   0.365613D+00  0.216219D+00  0.585560D+00 -0.335137D+01  0.118726D+01
      2   0.148195D+00 -0.447528D-01  0.497303D+00  0.551613D+00  0.574353D+00
      3  -0.898769D+00  0.232139D+00 -0.567928D-02 -0.518975D+01  0.484232D+00
               111           112           113           114           115 
      1   0.665361D+01  0.534385D+00 -0.970635D+00 -0.196512D+01  0.453342D+01
      2   0.329852D+01 -0.577160D-01 -0.274808D+00 -0.897488D+00 -0.704425D+00
      3   0.302415D+01  0.148980D+01  0.216586D+00 -0.180817D+00  0.490609D+01
               116           117           118           119           120 
      1  -0.115270D+01 -0.596946D+01 -0.252418D+01  0.652615D-01  0.211109D+01
      2  -0.114782D+01 -0.286627D+01 -0.793606D+01  0.406899D+00  0.744793D+01
      3  -0.159769D+00 -0.381037D+01 -0.816381D+01 -0.455342D+01  0.206740D+01
               121           122           123           124           125 
      1   0.395288D+00 -0.555399D+00 -0.920196D+00  0.146342D+01  0.313127D+00
      2  -0.937134D-01 -0.165027D+01  0.342646D+00  0.379985D+01 -0.744401D+00
      3  -0.930076D+00 -0.592920D+00  0.133476D+01  0.222124D+01  0.250627D+01
               126           127           128           129           130 
      1  -0.850290D+00 -0.137801D+01 -0.103190D+01 -0.174735D+01 -0.109724D+01
      2  -0.257351D+01 -0.148750D+01 -0.505717D+00 -0.851608D+00 -0.616755D+00
      3  -0.569901D+00  0.617833D+01  0.534614D+01  0.229961D+01  0.714885D+01
               131           132           133           134           135 
      1  -0.366693D+01 -0.469577D+01 -0.418640D+00 -0.143988D+01 -0.208315D+01
      2  -0.254231D+01 -0.312768D+01 -0.148334D+01 -0.275893D+01 -0.142708D+01
      3   0.129791D+02  0.404554D+01  0.277828D+01  0.521291D+01  0.357812D+01
               136           137           138           139           140 
      1   0.622880D+00 -0.454091D+00  0.565734D+00 -0.547826D+00  0.176282D+00
      2   0.124862D+01 -0.554139D+00  0.173474D+01 -0.382480D+00  0.245071D+01
      3  -0.318776D-01  0.758044D-01 -0.888322D-01  0.144976D+01  0.268460D+01
               141           142           143           144           145 
      1  -0.212087D+01  0.687353D+00  0.154999D+01  0.833231D+01  0.101983D+01
      2  -0.311547D+01 -0.100798D+01 -0.410517D+01  0.169322D+02  0.805567D+01
      3  -0.214817D+01 -0.676794D+00 -0.416845D+01  0.412995D+01  0.476834D+01
               146           147           148           149           150 
      1  -0.226949D+01 -0.165436D+01 -0.387167D+00 -0.262412D+00  0.136860D+00
      2   0.412323D+00  0.207171D+01  0.949231D+00 -0.588816D+00 -0.294509D+00
      3  -0.321840D+01 -0.130255D+01  0.658648D+00 -0.702578D+00  0.876059D+00
               151           152           153           154           155 
      1  -0.956227D+00  0.207011D+01  0.114862D+01 -0.218168D+01  0.437919D+01
      2  -0.266596D+01 -0.603571D+00 -0.206396D+00 -0.489863D+01  0.380491D+01
      3  -0.132956D+01  0.129719D+01  0.141547D+01 -0.453945D+01  0.350925D+01
               156           157           158           159           160 
      1   0.144223D+01  0.386451D+01 -0.794221D+01 -0.124876D+01  0.344768D+00
      2  -0.157640D+01  0.490986D+01 -0.662121D+01  0.254149D+01 -0.299125D+01
      3  -0.120892D+01  0.671474D+01 -0.821619D+01  0.245521D+01 -0.118934D+01
               161           162           163           164           165 
      1   0.238348D+01 -0.740866D+00  0.252115D+01  0.391203D+01  0.161981D+01
      2   0.217651D+01 -0.209139D+01 -0.465026D+01 -0.235922D+01 -0.287287D+01
      3   0.172634D+01 -0.241122D+01  0.885525D+00  0.693772D+00 -0.919847D-01
               166           167           168           169           170 
      1   0.295030D+01  0.717291D+01  0.313365D+01  0.171544D+01  0.574834D+01
      2  -0.441072D+01 -0.491494D+01 -0.461089D+01 -0.471217D+01 -0.317037D+01
      3   0.264874D+01  0.264474D+01  0.189216D+01  0.237107D+00  0.127922D+01
               171 
      1   0.440702D+01
      2  -0.498814D+01
      3   0.142245D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.129289D+02 -0.781803D+01  0.168063D+02 -0.698560D+01  0.178694D+02
      2   0.125881D+02  0.118938D+02 -0.847336D+01  0.106072D+02 -0.836668D+01
      3   0.340802D+00 -0.407581D+01 -0.833291D+01 -0.362157D+01 -0.950275D+01
      4  -0.106214D+02  0.536958D+01  0.704611D+01  0.640331D+01  0.167255D+01
      5   0.239498D+02  0.519471D+01 -0.112046D+02  0.342788D+01 -0.176204D+01
      6   0.817976D+01 -0.911927D+01 -0.325405D+01 -0.839317D+01  0.554855D+01
                 6             7             8             9            10 
      1   0.422734D+01  0.123730D+02  0.396854D+01 -0.715017D+01  0.981036D+01
      2   0.797856D+01 -0.595810D+01  0.654565D+01 -0.149284D+01 -0.114192D+02
      3  -0.122059D+02 -0.641487D+01 -0.105142D+02  0.864301D+01  0.160880D+01
      4   0.499376D+01  0.587748D+01  0.418442D+01  0.521909D+01 -0.394906D+01
      5   0.135539D+01 -0.874822D+01  0.330811D+01 -0.482208D+01 -0.107866D+02
      6  -0.689386D+01 -0.205627D+01 -0.502259D+01 -0.772372D+01 -0.541534D+01
                11            12            13            14            15 
      1   0.256848D+00 -0.882653D+01  0.353490D+01 -0.995569D+01 -0.166159D+01
      2  -0.809264D+00  0.336415D+01 -0.272609D+01 -0.393730D+00 -0.352215D+01
      3   0.552416D+00  0.546239D+01 -0.808809D+00  0.103494D+02  0.518374D+01
      4  -0.142784D+02 -0.489440D+01 -0.141629D+02 -0.845702D+01 -0.107987D+02
      5  -0.294426D+01 -0.133270D+01 -0.103791D+01 -0.121382D+02 -0.694770D+01
      6  -0.498937D+01 -0.667069D+00 -0.496951D+01 -0.479028D+01 -0.306405D+01
                16            17            18            19            20 
      1  -0.100195D+02 -0.132278D+01  0.249438D+01 -0.676754D+01 -0.702923D+01
      2   0.369919D+01 -0.184707D+01 -0.218897D+01  0.677955D+01  0.846263D+01
      3   0.632027D+01  0.316986D+01 -0.305412D+00 -0.120094D-01 -0.143340D+01
      4  -0.262271D+01 -0.874190D+01 -0.104319D+02  0.523611D+01  0.212729D+00
      5  -0.249010D+01 -0.968193D+01  0.764256D+01  0.841118D+00 -0.120063D+01
      6  -0.206572D+01 -0.511376D+01 -0.127332D+00  0.422171D+01  0.502660D+01
                21            22            23            24            25 
      1  -0.271803D+00 -0.296139D+01  0.331912D+01 -0.336816D+01  0.449107D+01
      2   0.394721D+00  0.371462D+01 -0.584448D+00 -0.465620D+01  0.603772D+00
      3  -0.122917D+00 -0.753226D+00 -0.273468D+01  0.802436D+01 -0.509484D+01
      4   0.680840D+00 -0.448253D+01  0.977760D+01  0.101364D+01 -0.105683D+01
      5  -0.953184D+00 -0.140490D+01  0.269728D+01  0.488968D+01  0.237473D+01
      6   0.395522D+01  0.961908D+00 -0.625757D-01 -0.729645D+01 -0.511570D+00
                26            27            28            29            30 
      1  -0.595023D+01  0.725818D+01 -0.526616D+01  0.186345D+01 -0.512903D+00
      2  -0.137018D+01  0.128197D+02  0.178840D+01 -0.207477D+01  0.732891D+01
      3   0.732041D+01 -0.200779D+02  0.347776D+01  0.211315D+00 -0.681600D+01
      4   0.458520D+01 -0.253432D+01  0.354287D+01  0.298064D+01  0.147158D+01
      5  -0.857008D+00 -0.110937D+01 -0.702623D+01  0.349988D+01 -0.182295D+01
      6   0.316367D+01  0.573488D+01 -0.155062D+01 -0.214821D+01  0.232356D+01
                31            32            33            34            35 
      1   0.722291D+01  0.186891D+02  0.105977D+01 -0.117696D+02  0.550719D+01
      2  -0.762661D+01 -0.345945D+02 -0.137135D+01  0.961956D+01 -0.128928D+01
      3   0.403700D+00  0.159055D+02  0.311586D+00  0.215004D+01 -0.421791D+01
      4  -0.146764D+02 -0.174921D+02  0.309490D+01  0.417405D+01 -0.502998D-01
      5   0.598665D+01  0.588530D+01 -0.445648D+00  0.421740D+00  0.158035D+01
      6   0.126966D+00  0.219593D+01 -0.113747D+02 -0.796959D+00  0.123276D+01
                36            37            38            39            40 
      1  -0.109738D+01  0.358566D+02 -0.204234D+01  0.724228D+01  0.211824D+01
      2  -0.175104D+01 -0.238568D+02  0.163546D+01 -0.979257D+01 -0.123969D+01
      3   0.284842D+01 -0.119997D+02  0.406887D+00  0.255029D+01 -0.878552D+00
      4   0.115263D+01 -0.241357D+01  0.772488D+01  0.159246D+00  0.135974D+02
      5  -0.837531D+01  0.141876D+02 -0.136242D+01  0.143000D+02  0.234068D+01
      6  -0.844359D+00  0.637254D+00  0.918940D+00 -0.260755D+01  0.745505D+00
                41            42            43            44            45 
      1   0.596066D+01  0.404363D+01  0.112918D+02 -0.512266D+00  0.310337D+01
      2  -0.182282D+01 -0.326635D+01 -0.113805D+02  0.103811D+01 -0.156010D+02
      3  -0.413784D+01 -0.777287D+00  0.886822D-01 -0.525844D+00  0.124977D+02
      4   0.102915D+02  0.604826D+01 -0.276740D+01  0.346907D+01 -0.843177D+00
      5   0.625597D+01  0.284165D+01  0.158547D+02 -0.197539D+01  0.178486D+02
      6  -0.159445D+01  0.568797D+01  0.405615D+00  0.440768D+01 -0.118622D+00
                46            47            48            49            50 
      1  -0.363234D+02  0.501449D+01  0.165823D+02 -0.165259D+01  0.153192D+02
      2   0.195366D+02 -0.957411D+01 -0.936674D+01 -0.549772D+01 -0.883852D+01
      3   0.167868D+02  0.455962D+01 -0.721556D+01  0.715031D+01 -0.648070D+01
      4   0.483715D+01  0.117975D+02 -0.201005D+01  0.126824D+02 -0.295929D+01
      5   0.124365D+02  0.476948D+00 -0.275286D-01  0.121637D+01  0.949885D+01
      6  -0.493986D+01 -0.202053D-01  0.386431D+00  0.869470D+00 -0.459273D+01
                51            52            53            54            55 
      1   0.316843D+01  0.203772D+02  0.157745D+01  0.406363D+01  0.106573D+02
      2  -0.877428D+01 -0.936037D+01 -0.832210D+01  0.585067D+01 -0.505273D+01
      3   0.560585D+01 -0.110169D+02  0.674465D+01 -0.991430D+01 -0.560460D+01
      4   0.601361D+01 -0.182418D+01  0.447985D+01  0.896317D+01 -0.382446D+01
      5   0.890679D+01 -0.325911D+01  0.101243D+02 -0.249936D+02  0.495524D+01
      6  -0.340847D+01  0.188731D+01 -0.372464D+01  0.118914D+02 -0.762522D+01
                56            57            58            59            60 
      1   0.114166D+02  0.219187D+01  0.801466D+01  0.210491D+01  0.221348D+01
      2  -0.197840D+02 -0.589032D+01 -0.149971D+02  0.379608D+01 -0.341082D+01
      3   0.836742D+01  0.369844D+01  0.698241D+01 -0.590099D+01  0.119734D+01
      4   0.276211D+01 -0.453741D+01  0.650681D+01 -0.176692D+02  0.246709D+01
      5  -0.297285D+01 -0.613789D+00 -0.206086D+01 -0.204299D+01 -0.477520D+00
      6  -0.261452D+01  0.597785D+01 -0.779235D+00 -0.519208D+01  0.440030D+01
                61            62            63            64            65 
      1  -0.386183D+00  0.255800D+01 -0.426665D+01  0.274966D+01  0.665952D+01
      2  -0.350487D+01 -0.449312D+01 -0.898759D+00  0.503257D+01 -0.258431D+01
      3   0.389105D+01  0.193512D+01  0.516540D+01 -0.778223D+01 -0.407522D+01
      4  -0.609663D+01  0.457577D+01  0.949028D+01  0.633857D+01  0.155062D+02
      5  -0.560323D+01  0.473359D+01  0.907588D+01 -0.130120D+01 -0.219380D+01
      6   0.109774D+02 -0.240496D+01 -0.594229D+01 -0.923896D+00 -0.153510D+01
                66            67            68            69            70 
      1   0.465731D+00  0.277410D+01 -0.350196D+02  0.236856D+01  0.499079D+00
      2  -0.141703D+01  0.211751D+01  0.645975D+02 -0.222303D+01 -0.199146D+01
      3   0.951294D+00 -0.489160D+01 -0.295779D+02 -0.145537D+00  0.149238D+01
      4  -0.192821D+01  0.212832D+02  0.325532D+02 -0.329596D+01 -0.197566D+01
      5   0.415506D+01 -0.153108D+01 -0.714748D+01  0.677856D+01  0.440540D+01
      6   0.615572D+00 -0.146473D+01 -0.372890D+01  0.181132D+02  0.169377D+01
                71            72            73            74            75 
      1  -0.185083D+00 -0.753621D+01  0.682795D+00  0.421170D+00 -0.668737D+00
      2  -0.130742D+01  0.626084D+01 -0.468315D+01 -0.556363D-02 -0.820569D+00
      3   0.149250D+01  0.127537D+01  0.400035D+01 -0.415606D+00  0.148931D+01
      4  -0.212896D+01  0.653171D+01 -0.121471D+00  0.159816D+01 -0.724252D+00
      5   0.730776D+01 -0.238270D+01  0.958419D+00 -0.155612D+01  0.619581D+01
      6   0.152804D+02 -0.233657D+01 -0.199436D+01  0.296422D-01 -0.145879D+00
                76            77            78            79            80 
      1   0.281808D+00 -0.401946D+01  0.453191D+01 -0.383004D+00  0.311407D+01
      2   0.731383D+00 -0.105327D+01  0.401607D+01 -0.180587D+01  0.485936D+01
      3  -0.101319D+01  0.507273D+01 -0.854798D+01  0.218888D+01 -0.797342D+01
      4   0.222602D+01  0.350367D+00 -0.100287D+00 -0.101868D+00 -0.200246D+01
      5  -0.123334D+01  0.264432D+00 -0.271413D+00  0.521963D+01  0.958235D-01
      6   0.835510D+00 -0.423282D+01  0.809778D+01 -0.104669D+01  0.624791D+01
                81            82            83            84            85 
      1  -0.176396D+02  0.988969D+01  0.465158D+01  0.477221D+01  0.430811D+01
      2  -0.182462D+02 -0.248146D+01 -0.446899D-01 -0.189957D+01  0.133170D+01
      3   0.358858D+02 -0.740824D+01 -0.460689D+01 -0.287264D+01 -0.563981D+01
      4   0.838778D+00  0.118938D+02  0.137902D+02  0.568018D+01  0.142631D+02
      5  -0.225743D+00  0.812364D+01  0.496753D+01  0.766396D+01  0.513847D+01
      6  -0.563323D+01  0.429031D+01  0.391913D+01  0.366240D+01  0.425069D+01
                86            87            88            89            90 
      1  -0.993012D+00 -0.980800D-01  0.427701D+01 -0.132194D+01 -0.743823D+00
      2   0.107890D+02  0.342084D+01 -0.235066D+01  0.219920D+01 -0.129444D+01
      3  -0.979602D+01 -0.332276D+01 -0.192635D+01 -0.877260D+00  0.203826D+01
      4   0.205835D+02  0.862906D+01  0.530635D+01  0.879276D+01  0.860609D+01
      5   0.805354D+01  0.776219D+01  0.812800D+01  0.784877D+01  0.828459D+01
      6   0.101971D+02  0.847982D+01  0.392860D+01  0.916252D+01  0.773190D+01
                91            92            93            94            95 
      1   0.313978D+01 -0.312658D+01  0.111686D+00 -0.107287D+02 -0.312210D+01
      2  -0.383878D+00  0.547768D+00  0.183226D+01  0.661925D+01  0.267658D+01
      3  -0.275591D+01  0.257881D+01 -0.194395D+01  0.410949D+01  0.445526D+00
      4  -0.542272D+01  0.143562D+01 -0.216398D+01  0.744228D+00 -0.160610D+02
      5  -0.475679D+00 -0.218458D+01 -0.132502D+00 -0.722364D+01 -0.119331D+01
      6  -0.930741D+00  0.193773D+01 -0.130497D+01  0.305255D+01 -0.189178D+01
                96            97            98            99           100 
      1  -0.473439D+01 -0.247177D+01 -0.801645D+00 -0.163606D+01 -0.480224D+01
      2   0.580230D+01  0.208965D+01 -0.826873D-01  0.167380D+01  0.818658D+01
      3  -0.106792D+01  0.382127D+00  0.884333D+00 -0.377443D-01 -0.338433D+01
      4  -0.431921D-01 -0.350581D+01  0.331458D+00 -0.316494D+01  0.774843D+01
      5  -0.799592D+01  0.628033D+00 -0.307516D+01  0.100671D+01  0.319761D+01
      6   0.243447D+01 -0.107009D+00  0.291734D+01 -0.324350D+01  0.220159D+01
               101           102           103           104           105 
      1  -0.121263D+02 -0.249518D+01 -0.782431D+01 -0.203762D+02 -0.467930D+01
      2   0.185009D+02  0.162347D+01  0.107096D+02  0.309295D+02  0.390140D+01
      3  -0.637455D+01  0.871703D+00 -0.288533D+01 -0.105533D+02  0.777893D+00
      4   0.738315D+01  0.333955D+00  0.762003D+01  0.544288D+01  0.218453D+00
      5   0.239682D+01  0.744507D+00  0.275584D+01  0.200882D+01 -0.683186D+00
      6   0.738511D+01  0.392789D+01  0.374937D+01  0.121128D+02  0.773967D+01
               106           107           108           109           110 
      1   0.123008D+01 -0.145341D+01 -0.134093D+01  0.417900D+01  0.163517D+01
      2  -0.571612D+00  0.130717D+01  0.990517D+00 -0.449222D+01 -0.204428D+01
      3  -0.658465D+00  0.146232D+00  0.350409D+00  0.313228D+00  0.409107D+00
      4  -0.112254D+00 -0.226075D+00  0.248082D+00 -0.120084D+02  0.813450D+01
      5   0.223446D+01  0.144005D+00  0.534382D+00 -0.129420D+02  0.655389D+01
      6  -0.194391D+00  0.450447D+01  0.154962D+01  0.102642D+02 -0.837226D+01
               111           112           113           114           115 
      1   0.347890D+00  0.110957D+01 -0.388153D+01 -0.286040D+01  0.505313D-01
      2   0.401744D+01 -0.198452D+01  0.453129D+01  0.285429D+01  0.433340D+01
      3  -0.436533D+01  0.874954D+00 -0.649761D+00  0.611334D-02 -0.438393D+01
      4   0.878672D+01  0.579125D+01 -0.502337D+01 -0.424831D+01  0.106717D+02
      5   0.129357D+02  0.260674D+01 -0.429551D+01 -0.306490D+01  0.139108D+02
      6  -0.133451D+02 -0.477572D+01  0.697594D+01  0.806610D+01 -0.121662D+02
               116           117           118           119           120 
      1  -0.469669D+01 -0.439153D+01  0.660264D+02 -0.600022D+01 -0.994349D+01
      2   0.272037D+01 -0.436211D+01 -0.326875D+02  0.996590D+00  0.500350D+01
      3   0.197632D+01  0.875364D+01 -0.333389D+02  0.500363D+01  0.493999D+01
      4  -0.702130D+01 -0.105732D+02 -0.169811D+02  0.110558D+02  0.207087D+01
      5  -0.709410D+01 -0.143346D+02 -0.554047D+01  0.342589D-01  0.109392D+02
      6   0.121664D+02  0.163394D+02  0.310646D+01  0.458892D-01 -0.337604D+01
               121           122           123           124           125 
      1   0.360498D+01  0.429913D+01 -0.809970D+00 -0.171215D+02  0.172323D+01
      2  -0.332141D+01 -0.485277D+00  0.145295D+01  0.891619D+01  0.694694D+00
      3  -0.283569D+00 -0.381385D+01 -0.642983D+00  0.820528D+01 -0.241792D+01
      4   0.763831D+01 -0.105695D+01 -0.263373D+01  0.512851D+01 -0.445182D+01
      5  -0.145514D+00 -0.227962D+01  0.480826D+00  0.101505D+02 -0.174698D+01
      6  -0.290962D+00  0.782333D+00  0.128306D+01 -0.261315D+01  0.165756D+01
               126           127           128           129           130 
      1   0.725806D+01 -0.139803D+01 -0.539870D+01 -0.384231D+01 -0.777551D+01
      2  -0.558052D+01  0.271784D+01  0.674074D+01  0.276393D+01  0.632182D+01
      3  -0.167754D+01 -0.131981D+01 -0.134204D+01  0.107839D+01  0.145370D+01
      4  -0.257315D+01  0.174892D+01 -0.323349D+01  0.646560D+00  0.332585D+01
      5  -0.409944D+01 -0.265852D+01 -0.975060D+00 -0.217878D+01 -0.188896D+01
      6   0.645403D+00  0.167384D+01  0.924701D+00  0.239151D+01  0.740287D+00
               131           132           133           134           135 
      1  -0.148355D+02 -0.447923D+01 -0.603528D+01 -0.425558D+01 -0.521134D+01
      2   0.243845D+02  0.703790D+01  0.312123D+01  0.758817D+01  0.329284D+01
      3  -0.954902D+01 -0.255868D+01  0.291405D+01 -0.333259D+01  0.191850D+01
      4  -0.147206D+02 -0.326318D+01  0.259481D+01 -0.647429D+01 -0.356460D+01
      5  -0.512578D+01 -0.664083D+01  0.344161D+00 -0.511051D+01 -0.175861D+01
      6   0.414437D+01  0.638259D+01  0.628378D+00  0.606630D+01  0.325179D+01
               136           137           138           139           140 
      1   0.552748D+01 -0.190985D+01  0.323746D+01 -0.412151D+00 -0.454124D+01
      2  -0.471161D+01  0.139968D+01 -0.228965D+01  0.517820D+00  0.308118D+01
      3  -0.815873D+00  0.510169D+00 -0.947806D+00 -0.105669D+00  0.146007D+01
      4  -0.286484D+01  0.154427D+01 -0.269445D+01  0.261457D+01 -0.479143D+01
      5   0.462146D+01 -0.213747D+01  0.770634D+01 -0.228914D+01  0.509677D+01
      6  -0.170930D+01  0.816490D+00 -0.154990D+01  0.168921D+01 -0.492022D+01
               141           142           143           144           145 
      1   0.220778D+01  0.624099D+01  0.232408D+01 -0.911099D+01  0.326970D+02
      2  -0.103159D+01 -0.565992D+01 -0.414624D+00 -0.131542D+02 -0.223853D+02
      3  -0.117618D+01 -0.581067D+00 -0.190946D+01  0.222652D+02 -0.103117D+02
      4   0.545638D+01 -0.652487D+01  0.890697D+01 -0.885172D+01  0.151038D+02
      5  -0.660454D+01  0.132291D+02 -0.105887D+02  0.356198D+02 -0.328803D+02
      6   0.936396D+01 -0.367728D+01  0.105635D+02 -0.185959D+02 -0.680120D+01
               146           147           148           149           150 
      1   0.292215D+01 -0.901999D+01  0.242059D+01  0.953263D+00 -0.405816D+00
      2  -0.117526D+01  0.127967D+02 -0.917949D+00  0.436213D-01 -0.511322D+00
      3  -0.174688D+01 -0.377675D+01 -0.150264D+01 -0.996884D+00  0.917139D+00
      4   0.945586D+01 -0.760346D+01  0.767803D+01  0.399594D+01 -0.421704D+01
      5  -0.578898D+01  0.227959D+02 -0.354467D+01 -0.429357D+01  0.212696D+01
      6  -0.540451D+01  0.615647D+01 -0.341293D+01 -0.305331D+01  0.469170D+01
               151           152           153           154           155 
      1  -0.560376D+01 -0.530314D+00  0.369857D+01 -0.386865D+01  0.811095D+01
      2   0.858489D+01  0.249504D+00 -0.937163D+01  0.338021D+01 -0.808310D+01
      3  -0.298112D+01  0.280811D+00  0.567306D+01  0.488441D+00 -0.278547D-01
      4  -0.477859D+01 -0.326349D+01  0.397910D+01 -0.119278D+01  0.840466D+00
      5   0.167333D+02  0.270982D+01 -0.139721D+02  0.147423D+01 -0.279405D+01
      6   0.424964D+01  0.410070D+01 -0.371578D+01 -0.452565D+01  0.835088D+01
               156           157           158           159           160 
      1  -0.655476D+01  0.755717D+01 -0.196535D+02  0.833337D+01 -0.357551D+01
      2   0.136189D+01 -0.748991D+01  0.219747D+02 -0.348607D+01  0.892495D+00
      3   0.519286D+01 -0.672600D-01 -0.232115D+01 -0.484730D+01  0.268302D+01
      4  -0.308188D+00  0.282514D+01  0.643063D+01 -0.373577D+01 -0.822171D+00
      5   0.164069D+01 -0.483348D+01  0.498053D+00  0.229277D+01  0.300997D+01
      6  -0.515243D+01  0.541554D+01 -0.192796D+02  0.128027D+02 -0.343383D+01
               161           162           163           164           165 
      1   0.584888D+01 -0.685789D+01 -0.163993D+01 -0.117316D+01 -0.690603D+01
      2  -0.278873D+01  0.184629D+01 -0.196669D+01 -0.216197D+01 -0.189520D+01
      3  -0.306015D+01  0.501160D+01  0.360662D+01  0.333513D+01  0.880123D+01
      4  -0.155169D+01  0.191995D+00  0.195909D+00 -0.958993D+00 -0.136291D+01
      5  -0.154889D+00  0.459543D+00  0.902310D+00  0.163493D+01  0.257617D+01
      6   0.100063D+02 -0.634893D+01  0.184104D+01  0.484835D+01  0.200606D+01
               166           167           168           169           170 
      1  -0.277048D+01 -0.753073D+01 -0.815651D+01 -0.482266D+01 -0.469065D+01
      2  -0.542450D+00  0.162936D+00 -0.601284D+01 -0.635011D+00 -0.438618D+01
      3   0.331293D+01  0.736779D+01  0.141693D+02  0.545767D+01  0.907683D+01
      4  -0.711986D+00 -0.562159D+01 -0.356198D+01 -0.156396D+01 -0.341321D+01
      5   0.372088D+01  0.194840D-01 -0.430314D+01  0.462208D+01 -0.322211D+00
      6   0.368622D+01  0.100305D+02  0.788162D+01  0.214399D+01  0.790910D+01
               171 
      1  -0.981852D+01
      2  -0.771788D+01
      3   0.175364D+02
      4  -0.268385D+01
      5  -0.236156D+01
      6   0.613458D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.204740D+01      0.520398D+01      0.173586D+02
   x         -0.742876D+00     -0.188820D+01     -0.629836D+01
   y         -0.176742D+01     -0.449234D+01     -0.149848D+02
   z         -0.718479D+00     -0.182619D+01     -0.609152D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.739690D+02      0.109611D+02      0.121958D+02
   aniso      0.105659D+02      0.156571D+01      0.174208D+01
   xx         0.760945D+02      0.112760D+02      0.125463D+02
   yx        -0.269603D+01     -0.399510D+00     -0.444515D+00
   yy         0.776510D+02      0.115067D+02      0.128029D+02
   zx         0.143289D+01      0.212332D+00      0.236252D+00
   zy        -0.141107D+01     -0.209099D+00     -0.232654D+00
   zz         0.681616D+02      0.101005D+02      0.112383D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.792247D+02      0.117399D+02      0.130624D+02
   aniso      0.109644D+02      0.162476D+01      0.180779D+01
   xx         0.811660D+02      0.120276D+02      0.133825D+02
   yx        -0.275438D+01     -0.408157D+00     -0.454136D+00
   yy         0.831208D+02      0.123172D+02      0.137048D+02
   zx         0.203697D+01      0.301848D+00      0.335852D+00
   zy        -0.135126D+01     -0.200235D+00     -0.222792D+00
   zz         0.733874D+02      0.108749D+02      0.120999D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -2.73937377          2.23904352          1.08554495
     6         -1.88117418         -0.48059512          1.56439485
     6          0.94787025         -0.89168078          0.95010925
     6          1.52651926         -0.12322908         -1.78993980
     8          2.72797093          2.09429922         -2.00600709
     6         -3.56855114         -2.36908427          0.18026249
     7          2.54514824          0.60022698          2.66665461
     8          0.91617865         -1.36785827         -3.58759808
     1          1.33338913         -2.91683820          1.07931053
     1         -2.04641477         -0.86202224          3.59590872
     1          3.05019176          2.64619004         -0.25996411
     1          1.69156950          0.88348038          4.35454103
     1          4.22221412         -0.26015093          2.99461459
     1         -5.53150114         -2.11445910          0.75958720
     1         -3.45026046         -2.11393361         -1.85900059
     1         -3.02295168         -4.31304637          0.60144336
     1         -4.67885243          2.49392422          1.73581253
     1         -1.55771060          3.61399592          2.06654837
     1         -2.69062861          2.68301590         -0.92875161

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.204740D+01      0.520398D+01      0.173586D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.204740D+01      0.520398D+01      0.173586D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.739690D+02      0.109611D+02      0.121958D+02
   aniso      0.105659D+02      0.156571D+01      0.174208D+01
   xx         0.750862D+02      0.111266D+02      0.123800D+02
   yx         0.493121D+01      0.730731D+00      0.813047D+00
   yy         0.727223D+02      0.107763D+02      0.119903D+02
   zx         0.353219D+00      0.523417D-01      0.582379D-01
   zy         0.337069D+01      0.499485D+00      0.555752D+00
   zz         0.740985D+02      0.109803D+02      0.122172D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.792247D+02      0.117399D+02      0.130624D+02
   aniso      0.109644D+02      0.162476D+01      0.180779D+01
   xx         0.798383D+02      0.118308D+02      0.131636D+02
   yx         0.536865D+01      0.795552D+00      0.885171D+00
   yy         0.781965D+02      0.115875D+02      0.128929D+02
   zx         0.404946D+00      0.600067D-01      0.667665D-01
   zy         0.320680D+01      0.475199D+00      0.528730D+00
   zz         0.796394D+02      0.118013D+02      0.131308D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-U23-23\Freq\RLC-PBEPBE\Gen\C5H11N1O2\PIERPA\16-Aug-2021\0
 \\#P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight
 ) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=0337000
 000,3/108=0337000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=
 -1)\\ROA calculations.\\0,1\C,-1.24206,-0.691046,1.347213\C,-1.257801,
 -0.369797,-0.148854\C,0.16088,-0.33875,-0.765763\C,1.057636,0.659612,-
 0.017001\O,1.94502,0.084751,0.805432\C,-2.029648,0.917604,-0.43052\N,0
 .777212,-1.67285,-0.70969\O,0.958586,1.851003,-0.134549\H,0.071726,0.0
 35438,-1.788895\H,-1.773582,-1.187043,-0.66862\H,1.831378,-0.883345,0.
 671434\H,0.080206,-2.406377,-0.729845\H,1.409658,-1.824289,-1.48563\H,
 -3.04716,0.833387,-0.044887\H,-1.550296,1.774112,0.042015\H,-2.088446,
 1.119506,-1.501518\H,-2.261952,-0.810611,1.715282\H,-0.69735,-1.610398
 ,1.56625\H,-0.77755,0.117788,1.914721\\Version=ES64L-G16RevA.03\State=
 1-A\HF=-402.5714841\RMSD=4.278e-09\RMSF=2.981e-06\ZeroPoint=0.1649109\
 Thermal=0.1740473\Dipole=-0.7428757,-1.7674209,-0.7184791\DipoleDeriv=
 0.0350045,0.011894,0.012495,0.016194,0.0623326,0.038798,0.0039167,0.02
 18468,-0.0339731,0.2232064,0.0657249,0.0148336,-0.0339363,0.1062175,-0
 .01791,-0.0477572,-0.0107187,0.1499302,0.0088657,-0.2139231,-0.0730536
 ,-0.2275463,0.3868336,0.0013602,-0.0929973,0.0309321,0.1489387,0.91393
 97,-0.2033193,0.4597497,-0.0367209,1.502282,-0.2404638,0.609222,-0.273
 4811,0.6156626,-0.791865,0.3106542,-0.3300264,0.1011047,-0.7661521,0.0
 62331,-0.4218265,0.2950315,-0.6120789,0.0458392,0.046132,-0.0033611,0.
 022539,-0.009542,0.0046699,0.0049992,-0.0034414,0.0740179,-0.4672017,0
 .1612579,-0.1091071,0.1389393,-0.5961198,-0.0404618,-0.1038666,-0.0590
 779,-0.3917563,-0.526968,-0.0607757,-0.076528,0.0274113,-1.1896011,0.1
 293215,-0.1035251,0.0105621,-0.4174309,0.0317316,0.0164316,0.0015134,0
 .0296248,-0.0533133,0.0479627,-0.0146483,0.0580588,-0.104637,-0.042689
 8,-0.0585505,-0.0393345,-0.0624383,-0.130754,-0.0795969,-0.0163551,-0.
 0797324,-0.0542714,0.3648541,0.0565166,0.0786859,0.0539478,0.4220667,0
 .1033133,0.0880188,0.0972136,0.3465447,0.0979991,-0.1248131,-0.0110712
 ,-0.0423261,0.1270704,-0.0265396,-0.0284931,-0.0732568,0.2009975,0.192
 1653,-0.0055129,0.0489874,0.0041509,0.1357972,0.0141088,0.106871,-0.03
 89687,0.1143118,-0.1505028,0.0248394,0.06018,-0.021962,0.047172,0.0177
 331,0.0879129,0.0084642,0.0413237,0.0671386,-0.0594864,-0.043711,-0.00
 5449,-0.0181932,-0.0303714,-0.0428236,-0.0529695,0.0221351,0.0625677,0
 .0168337,0.0115591,0.0248687,0.0292953,0.0266456,-0.0281712,0.0610137,
 -0.1515962,-0.1288443,-0.0308194,0.0954434,-0.0133298,0.0716558,0.0087
 001,0.0538595,0.0109203,0.0175419,0.0236644,0.0999837,-0.0452431,0.084
 4094,-0.0857064,0.0518696,-0.0289227,0.0217288,0.025397,0.0410953,-0.0
 530675,-0.0520116,-0.0594812,-0.0413414,-0.0714702,-0.0254135,-0.02412
 54,0.0089427\Polar=76.0944834,-2.6960298,77.6509701,1.4328891,-1.41107
 16,68.161649\Quadrupole=-0.5628603,-1.5297454,2.0926057,-3.3477232,-2.
 3849058,1.6874976\PG=C01 [X(C5H11N1O2)]\NImag=0\\0.57512255,-0.0030653
 4,0.56781356,0.00011057,0.01851610,0.46261682,-0.07935512,0.00104376,-
 0.00476148,0.46793713,0.00051812,-0.08371564,0.01729307,0.03138033,0.5
 3762557,-0.00328644,0.01502755,-0.17456562,0.03146385,0.04130088,0.488
 88257,-0.00193940,-0.00299780,0.00680668,-0.12853011,-0.01942298,0.019
 22727,0.42827920,-0.00890893,-0.00032427,0.00328057,0.00359539,-0.0765
 2308,0.00038511,-0.01039513,0.48119997,0.03303558,0.00313048,-0.016436
 61,0.03192749,0.00760887,-0.08767430,0.02702847,-0.05691787,0.56456802
 ,0.00136214,-0.00085197,0.00044247,-0.02959914,-0.01980098,-0.01313138
 ,-0.10666235,-0.03735428,-0.01982661,0.39980656,0.00176218,-0.00006750
 ,0.00077476,-0.01462839,0.00397863,0.00679970,-0.01202009,-0.08964840,
 -0.02075786,-0.04452333,1.01342755,0.00215373,0.00182326,0.00241044,-0
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 I KNOW YOU BELIEVE YOU UNDERSTAND WHAT YOU THINK I SAID,
 BUT I AM NOT SURE YOU REALIZE THAT WHAT YOU HEARD IS NOT WHAT I MEANT.
 Job cpu time:       0 days  2 hours 49 minutes 51.6 seconds.
 Elapsed time:       0 days  0 hours 21 minutes 18.5 seconds.
 File lengths (MBytes):  RWF=    240 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Mon Aug 16 21:41:13 2021.
